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Azoles

Organic compounds that consist of five-membered heterocyclic molecules containing a nitrogen atom and at least one other non-carbon atom as part of the ring.
Thiazoles (127)
Isoxazoles (46)
Imidazoles (36)
Pyrazoles (23)
Oxazoles (18)
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Thiadiazoles (9)
Oxadiazoles (2)

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1 – 15 of 152 results
1
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Urocanic acid, 98%

CAS: 104-98-3 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.13 MDL Number: MFCD00005203 InChI Key: LOIYMIARKYCTBW-UPHRSURJSA-N Synonym: urocanic acid,4-imidazoleacrylic acid,trans-urocanic acid,urocaninic acid,imidazoleacrylic acid,5-imidazoleacrylic acid,urocanate,imidazole-4-acrylic acid,2e-3-1h-imidazol-4-yl acrylic acid,3-1h-imidazol-4-yl-2-propenoic acid PubChem CID: 1549103 ChEBI: CHEBI:30818 IUPAC Name: (Z)-3-(1H-imidazol-5-yl)prop-2-enoic acid SMILES: C1=C(NC=N1)C=CC(=O)O

PubChem CID 1549103
CAS 104-98-3
Molecular Weight (g/mol) 138.13
ChEBI CHEBI:30818
MDL Number MFCD00005203
SMILES C1=C(NC=N1)C=CC(=O)O
Synonym urocanic acid,4-imidazoleacrylic acid,trans-urocanic acid,urocaninic acid,imidazoleacrylic acid,5-imidazoleacrylic acid,urocanate,imidazole-4-acrylic acid,2e-3-1h-imidazol-4-yl acrylic acid,3-1h-imidazol-4-yl-2-propenoic acid
IUPAC Name (Z)-3-(1H-imidazol-5-yl)prop-2-enoic acid
InChI Key LOIYMIARKYCTBW-UPHRSURJSA-N
Molecular Formula C6H6N2O2
2

Nalidixic acid sodium salt

CAS: 5-8-3374 Molecular Formula: C12H11N2NaO3 Molecular Weight (g/mol): 254.22 InChI Key: ROKRAUFZFDQWLE-UHFFFAOYSA-M IUPAC Name: sodium 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate SMILES: [Na+].CCN1C=C(C([O-])=O)C(=O)C2=CC=C(C)N=C12

CAS 5-8-3374
Molecular Weight (g/mol) 254.22
SMILES [Na+].CCN1C=C(C([O-])=O)C(=O)C2=CC=C(C)N=C12
IUPAC Name sodium 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
InChI Key ROKRAUFZFDQWLE-UHFFFAOYSA-M
Molecular Formula C12H11N2NaO3
3
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5-Thiazolecarboxylic acid, 98%

CAS: 14527-41-4 Molecular Formula: C4H3NO2S Molecular Weight (g/mol): 129.13 MDL Number: MFCD03428539 InChI Key: YZVFSQQHQPPKNX-UHFFFAOYSA-N Synonym: thiazole-5-carboxylic acid,5-thiazolecarboxylic acid,thiazole-5-carboxylicacid,pubchem14533,acmc-209cuh,5-thiazole carboxylic acid,thiazole 5-carboxylic acid,ksc177g9t PubChem CID: 84494 IUPAC Name: 1,3-thiazole-5-carboxylic acid SMILES: OC(=O)C1=CN=CS1

PubChem CID 84494
CAS 14527-41-4
Molecular Weight (g/mol) 129.13
MDL Number MFCD03428539
SMILES OC(=O)C1=CN=CS1
Synonym thiazole-5-carboxylic acid,5-thiazolecarboxylic acid,thiazole-5-carboxylicacid,pubchem14533,acmc-209cuh,5-thiazole carboxylic acid,thiazole 5-carboxylic acid,ksc177g9t
IUPAC Name 1,3-thiazole-5-carboxylic acid
InChI Key YZVFSQQHQPPKNX-UHFFFAOYSA-N
Molecular Formula C4H3NO2S
4

4-Thiazolecarboxylic acid, 97%

CAS: 3973-08-8 Molecular Formula: C4H3NO2S Molecular Weight (g/mol): 129.14 ChEBI: CHEBI:46230

CAS 3973-08-8
Molecular Weight (g/mol) 129.14
ChEBI CHEBI:46230
Molecular Formula C4H3NO2S
5
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Thiazole-2-carboxylic acid, 95%

CAS: 14190-59-1 Molecular Formula: C4H3NO2S Molecular Weight (g/mol): 129.133 MDL Number: MFCD02094169 InChI Key: IJVLVRYLIMQVDD-UHFFFAOYSA-N Synonym: thiazole-2-carboxylic acid,2-thiazolecarboxylic acid,thiazole-2-carboxylicacid,2-carboxy-1,3-thiazole,thiazolecarboxylic acid,pubchem16257,thiazole carboxylic acid,2-carboxythiazole,acmc-209cn5 PubChem CID: 2762733 IUPAC Name: 1,3-thiazole-2-carboxylic acid SMILES: C1=CSC(=N1)C(=O)O

PubChem CID 2762733
CAS 14190-59-1
Molecular Weight (g/mol) 129.133
MDL Number MFCD02094169
SMILES C1=CSC(=N1)C(=O)O
Synonym thiazole-2-carboxylic acid,2-thiazolecarboxylic acid,thiazole-2-carboxylicacid,2-carboxy-1,3-thiazole,thiazolecarboxylic acid,pubchem16257,thiazole carboxylic acid,2-carboxythiazole,acmc-209cn5
IUPAC Name 1,3-thiazole-2-carboxylic acid
InChI Key IJVLVRYLIMQVDD-UHFFFAOYSA-N
Molecular Formula C4H3NO2S
6
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Isoxazole-5-carboxylic acid, 98%

CAS: 21169-71-1 Molecular Formula: C4H3NO3 Molecular Weight (g/mol): 113.072 MDL Number: MFCD00156151 InChI Key: MIIQJAUWHSUTIT-UHFFFAOYSA-N Synonym: isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h PubChem CID: 2060599 IUPAC Name: 1,2-oxazole-5-carboxylic acid SMILES: C1=C(ON=C1)C(=O)O

PubChem CID 2060599
CAS 21169-71-1
Molecular Weight (g/mol) 113.072
MDL Number MFCD00156151
SMILES C1=C(ON=C1)C(=O)O
Synonym isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h
IUPAC Name 1,2-oxazole-5-carboxylic acid
InChI Key MIIQJAUWHSUTIT-UHFFFAOYSA-N
Molecular Formula C4H3NO3
7
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Isoxazole-3-carboxylic acid, 97%

CAS: 3209-71-0 Molecular Formula: C4H3NO3 Molecular Weight (g/mol): 113.07 MDL Number: MFCD06738796 InChI Key: UXYRXGFUANQKTA-UHFFFAOYSA-N Synonym: 3-isoxazolecarboxylic acid,isoxazole-3-carboxylic acid,isoxazole-3-carboxylicacid,3-isoxazolecarboxylicacid,3-carboxyisoxazole,isoxazole-3-carboxylic,pubchem12341,acmc-209hqw,ksc222a3r,aronis24546 PubChem CID: 11286453 IUPAC Name: 1,2-oxazole-3-carboxylic acid SMILES: OC(=O)C1=NOC=C1

PubChem CID 11286453
CAS 3209-71-0
Molecular Weight (g/mol) 113.07
MDL Number MFCD06738796
SMILES OC(=O)C1=NOC=C1
Synonym 3-isoxazolecarboxylic acid,isoxazole-3-carboxylic acid,isoxazole-3-carboxylicacid,3-isoxazolecarboxylicacid,3-carboxyisoxazole,isoxazole-3-carboxylic,pubchem12341,acmc-209hqw,ksc222a3r,aronis24546
IUPAC Name 1,2-oxazole-3-carboxylic acid
InChI Key UXYRXGFUANQKTA-UHFFFAOYSA-N
Molecular Formula C4H3NO3
8
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3,5-Dimethylisoxazole-4-boronic acid, 97%

CAS: 16114-47-9 Molecular Formula: C5H8BNO3 Molecular Weight (g/mol): 140.933 MDL Number: MFCD02677945 InChI Key: DIIFZCPZIRQDIJ-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazole-4-boronic acid,3,5-dimethylisoxazol-4-yl boronic acid,3,5-dimethyl-4-isoxazolylboronic acid,3,5-dimethylisoxazol-4-ylboronic acid,3,5-dimethyl-1,2-oxazol-4-yl boronic acid,3,5-dimethylisoxazole-4-boronicacid,3,5-dimethyl-4-isoxazoleboronic acid,3,5-dimethylisoxazol-4-yl-4-boronic acid,3,5-dimethyl-isoxazole-4-boronic acid,dimethyl-1,2-oxazol-4-yl boronic acid PubChem CID: 2734346 IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid SMILES: B(C1=C(ON=C1C)C)(O)O

PubChem CID 2734346
CAS 16114-47-9
Molecular Weight (g/mol) 140.933
MDL Number MFCD02677945
SMILES B(C1=C(ON=C1C)C)(O)O
Synonym 3,5-dimethylisoxazole-4-boronic acid,3,5-dimethylisoxazol-4-yl boronic acid,3,5-dimethyl-4-isoxazolylboronic acid,3,5-dimethylisoxazol-4-ylboronic acid,3,5-dimethyl-1,2-oxazol-4-yl boronic acid,3,5-dimethylisoxazole-4-boronicacid,3,5-dimethyl-4-isoxazoleboronic acid,3,5-dimethylisoxazol-4-yl-4-boronic acid,3,5-dimethyl-isoxazole-4-boronic acid,dimethyl-1,2-oxazol-4-yl boronic acid
IUPAC Name (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid
InChI Key DIIFZCPZIRQDIJ-UHFFFAOYSA-N
Molecular Formula C5H8BNO3
9
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3,5-Dimethylisoxazole-4-carboxylic acid, 99%

CAS: 2510-36-3 Molecular Formula: C6H7NO3 Molecular Weight (g/mol): 141.126 MDL Number: MFCD00051657 InChI Key: IJEUISLJVBUNRE-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazole-4-carboxylic acid,3,5-dimethylisoxasole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3,5-dimethyl,dimethyl-1,2-oxazole-4-carboxylic acid,3,5-dimethyl-4-isoxazolecarboxylic acid,3,5-dimethyl-isoxazole-4-carboxylic acid,3,5-dimethylisoxazole-4-carboxylicacid,pubchem8774,akos pao-1555 PubChem CID: 75636 IUPAC Name: 3,5-dimethyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=C(C(=NO1)C)C(=O)O

PubChem CID 75636
CAS 2510-36-3
Molecular Weight (g/mol) 141.126
MDL Number MFCD00051657
SMILES CC1=C(C(=NO1)C)C(=O)O
Synonym 3,5-dimethylisoxazole-4-carboxylic acid,3,5-dimethylisoxasole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3,5-dimethyl,dimethyl-1,2-oxazole-4-carboxylic acid,3,5-dimethyl-4-isoxazolecarboxylic acid,3,5-dimethyl-isoxazole-4-carboxylic acid,3,5-dimethylisoxazole-4-carboxylicacid,pubchem8774,akos pao-1555
IUPAC Name 3,5-dimethyl-1,2-oxazole-4-carboxylic acid
InChI Key IJEUISLJVBUNRE-UHFFFAOYSA-N
Molecular Formula C6H7NO3
10
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2-Amino-4-thiazoleacetic acid, 97%

CAS: 29676-71-9 Molecular Formula: C5H6N2O2S Molecular Weight (g/mol): 158.175 MDL Number: MFCD00010068 InChI Key: DYCLHZPOADTVKK-UHFFFAOYSA-N Synonym: 2-amino-4-thiazoleacetic acid,2-2-aminothiazol-4-yl acetic acid,2-aminothiazol-4-acetic acid,2-aminothiazole-4-yl acetic acid,4-thiazoleacetic acid, 2-amino,2-amino-1,3-thiazol-4-yl acetic acid,2-aminothiazole-4-yl-acetic acid,2-aminothiazole-4-acetic acid,unii-qsh3o4tnjt,2-2-amino-1,3-thiazol-4-yl acetic acid PubChem CID: 34665 IUPAC Name: 2-(2-amino-1,3-thiazol-4-yl)acetic acid SMILES: C1=C(N=C(S1)N)CC(=O)O

PubChem CID 34665
CAS 29676-71-9
Molecular Weight (g/mol) 158.175
MDL Number MFCD00010068
SMILES C1=C(N=C(S1)N)CC(=O)O
Synonym 2-amino-4-thiazoleacetic acid,2-2-aminothiazol-4-yl acetic acid,2-aminothiazol-4-acetic acid,2-aminothiazole-4-yl acetic acid,4-thiazoleacetic acid, 2-amino,2-amino-1,3-thiazol-4-yl acetic acid,2-aminothiazole-4-yl-acetic acid,2-aminothiazole-4-acetic acid,unii-qsh3o4tnjt,2-2-amino-1,3-thiazol-4-yl acetic acid
IUPAC Name 2-(2-amino-1,3-thiazol-4-yl)acetic acid
InChI Key DYCLHZPOADTVKK-UHFFFAOYSA-N
Molecular Formula C5H6N2O2S
11
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2-Phenylthiazole-4-carboxylic acid, 97%

CAS: 7113-10-2 Molecular Formula: C10H6NO2S Molecular Weight (g/mol): 204.22 MDL Number: MFCD00141954 InChI Key: IBUSLNJQKLZPNR-UHFFFAOYSA-M Synonym: 2-phenylthiazole-4-carboxylic acid,2-phenyl-4-carboxythiazole,4-thiazolecarboxylic acid, 2-phenyl,2-phenyl-thiazole-4-carboxylic acid,2-phenyl-4-thiazolecarboxylic acid,2-phenyl-1,3-thiadiazole-4-carboxylic acid,pubchem19074,4-carboxy-2-phenylthiazole,ksc237i8r,phenyl-1,3-thiazole-4-carboxylic acid PubChem CID: 138928 IUPAC Name: 2-phenyl-1,3-thiazole-4-carboxylic acid SMILES: C1=CC=C(C=C1)C2=NC(=CS2)C(=O)O

PubChem CID 138928
CAS 7113-10-2
Molecular Weight (g/mol) 204.22
MDL Number MFCD00141954
SMILES C1=CC=C(C=C1)C2=NC(=CS2)C(=O)O
Synonym 2-phenylthiazole-4-carboxylic acid,2-phenyl-4-carboxythiazole,4-thiazolecarboxylic acid, 2-phenyl,2-phenyl-thiazole-4-carboxylic acid,2-phenyl-4-thiazolecarboxylic acid,2-phenyl-1,3-thiadiazole-4-carboxylic acid,pubchem19074,4-carboxy-2-phenylthiazole,ksc237i8r,phenyl-1,3-thiazole-4-carboxylic acid
IUPAC Name 2-phenyl-1,3-thiazole-4-carboxylic acid
InChI Key IBUSLNJQKLZPNR-UHFFFAOYSA-M
Molecular Formula C10H6NO2S
12

2-chlorothiazole-4-carboxylic acid, 97%

CAS: 5198-87-8 Molecular Formula: C4H2ClNO2S Molecular Weight (g/mol): 163.58 InChI Key: UVYJJJQMZPCYKY-UHFFFAOYSA-N Synonym: 2-chlorothiazole-4-carboxylic acid,2-chloro-4-thiazolecarboxylic acid,2-chloro-thiazole-4-carboxylic acid,4-carboxy-2-chloro-1,3-thiazole,4-thiazolecarboxylic acid, 2-chloro,2chloro-4-thiazolecarboxylic acid PubChem CID: 21803026 IUPAC Name: 2-chloro-1,3-thiazole-4-carboxylic acid SMILES: C1=C(N=C(S1)Cl)C(=O)O

PubChem CID 21803026
CAS 5198-87-8
Molecular Weight (g/mol) 163.58
SMILES C1=C(N=C(S1)Cl)C(=O)O
Synonym 2-chlorothiazole-4-carboxylic acid,2-chloro-4-thiazolecarboxylic acid,2-chloro-thiazole-4-carboxylic acid,4-carboxy-2-chloro-1,3-thiazole,4-thiazolecarboxylic acid, 2-chloro,2chloro-4-thiazolecarboxylic acid
IUPAC Name 2-chloro-1,3-thiazole-4-carboxylic acid
InChI Key UVYJJJQMZPCYKY-UHFFFAOYSA-N
Molecular Formula C4H2ClNO2S
13
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2-Bromothiazole-5-carboxylic acid, 97%

CAS: 54045-76-0 Molecular Formula: C4H2BrNO2S Molecular Weight (g/mol): 208.029 MDL Number: MFCD04115730 InChI Key: BESGTWHUMYHYEQ-UHFFFAOYSA-N Synonym: 2-bromothiazole-5-carboxylic acid,2-bromo-5-thiazolecarboxylic acid,2-bromo-5-thiazolecarboxylicacid,2-bromo-thiazole-5-carboxylic acid,2-bromo-5-carboxythiazole,5-thiazolecarboxylic acid, 2-bromo,2-bromthiazol-5-carboxylic acid,pubchem15963,acmc-1ap3n,2-bromothiazole-5-carboxylic PubChem CID: 2763210 IUPAC Name: 2-bromo-1,3-thiazole-5-carboxylic acid SMILES: C1=C(SC(=N1)Br)C(=O)O

PubChem CID 2763210
CAS 54045-76-0
Molecular Weight (g/mol) 208.029
MDL Number MFCD04115730
SMILES C1=C(SC(=N1)Br)C(=O)O
Synonym 2-bromothiazole-5-carboxylic acid,2-bromo-5-thiazolecarboxylic acid,2-bromo-5-thiazolecarboxylicacid,2-bromo-thiazole-5-carboxylic acid,2-bromo-5-carboxythiazole,5-thiazolecarboxylic acid, 2-bromo,2-bromthiazol-5-carboxylic acid,pubchem15963,acmc-1ap3n,2-bromothiazole-5-carboxylic
IUPAC Name 2-bromo-1,3-thiazole-5-carboxylic acid
InChI Key BESGTWHUMYHYEQ-UHFFFAOYSA-N
Molecular Formula C4H2BrNO2S
14
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5-Methylisoxazole-3-carboxylic acid, 98+%

CAS: 3405-77-4 Molecular Formula: C5H5NO3 Molecular Weight (g/mol): 127.099 MDL Number: MFCD01318162 InChI Key: BNMPIJWVMVNSRD-UHFFFAOYSA-N Synonym: 5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-methyl,5-methyl-3-isoxazolecarboxylic acid,5-methyl-isoxazole-3-carboxylic acid,3-carboxy-5-methylisoxazole,3-isoxazolecarboxylicacid, 5-methyl,isoxazole acid,pubchem15552,ksc224c5p PubChem CID: 76947 IUPAC Name: 5-methyl-1,2-oxazole-3-carboxylic acid SMILES: CC1=CC(=NO1)C(=O)O

PubChem CID 76947
CAS 3405-77-4
Molecular Weight (g/mol) 127.099
MDL Number MFCD01318162
SMILES CC1=CC(=NO1)C(=O)O
Synonym 5-methylisoxazole-3-carboxylic acid,5-methylisoxazole-3-carboxylicacid,3-isoxazolecarboxylic acid, 5-methyl,5-methyl-3-isoxazolecarboxylic acid,5-methyl-isoxazole-3-carboxylic acid,3-carboxy-5-methylisoxazole,3-isoxazolecarboxylicacid, 5-methyl,isoxazole acid,pubchem15552,ksc224c5p
IUPAC Name 5-methyl-1,2-oxazole-3-carboxylic acid
InChI Key BNMPIJWVMVNSRD-UHFFFAOYSA-N
Molecular Formula C5H5NO3
15

2-Aminothiazole-4-carboxylic acid, 97%

CAS: 40283-41-8 Molecular Formula: C4H4N2O2S Molecular Weight (g/mol): 144.15 MDL Number: MFCD00859429 InChI Key: FCLDUALXSYSMFB-UHFFFAOYSA-N Synonym: 2-aminothiazole-4-carboxylic acid,2-amino-thiazole-4-carboxylic acid,2-amino-4-thiazolecarboxylic acid,2-aminothiazole-4-formic acid,4-thiazolecarboxylic acid, 2-amino,2-aminothiazole-4-carboxylicacid,pubchem8903,acmc-209jco,2-aminothiazole 4-carboxylic,2-amino-4-carboxythiazole PubChem CID: 1501882 IUPAC Name: 2-amino-1,3-thiazole-4-carboxylic acid SMILES: C1=C(N=C(S1)N)C(=O)O

PubChem CID 1501882
CAS 40283-41-8
Molecular Weight (g/mol) 144.15
MDL Number MFCD00859429
SMILES C1=C(N=C(S1)N)C(=O)O
Synonym 2-aminothiazole-4-carboxylic acid,2-amino-thiazole-4-carboxylic acid,2-amino-4-thiazolecarboxylic acid,2-aminothiazole-4-formic acid,4-thiazolecarboxylic acid, 2-amino,2-aminothiazole-4-carboxylicacid,pubchem8903,acmc-209jco,2-aminothiazole 4-carboxylic,2-amino-4-carboxythiazole
IUPAC Name 2-amino-1,3-thiazole-4-carboxylic acid
InChI Key FCLDUALXSYSMFB-UHFFFAOYSA-N
Molecular Formula C4H4N2O2S