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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.
Imidazoles (2,627)
Thiazoles (1,721)
Pyrazoles (1,300)
Triazoles (569)
Oxazoles (478)
Isoxazoles (230)
Oxadiazoles (227)
Thiadiazoles (68)
Dithiazoles (4)

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31 – 45 of 5,974 results
31

1,1'-Carbonyldiimidazole 97.0+%, TCI America™
SDP

CAS: 530-62-1 Molecular Formula: C7H6N4O Molecular Weight (g/mol): 162.15 MDL Number: MFCD00005286 InChI Key: PFKFTWBEEFSNDU-UHFFFAOYSA-N Synonym: 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole PubChem CID: 68263 IUPAC Name: 1-(1H-imidazole-1-carbonyl)-1H-imidazole SMILES: O=C(N1C=CN=C1)N1C=CN=C1

PubChem CID 68263
CAS 530-62-1
Molecular Weight (g/mol) 162.15
MDL Number MFCD00005286
SMILES O=C(N1C=CN=C1)N1C=CN=C1
Synonym 1,1'-carbonyldiimidazole,n,n'-carbonyldiimidazole,carbonyldiimidazole,di 1h-imidazol-1-yl methanone,n,n-carbonyldiimidazole,1h-imidazole, 1,1'-carbonylbis,1,1'-carbonylbis-1h-imidazole,carbonyl diimidazole,diimidazol-1-yl ketone,1,1-carbonyldiimidazole
IUPAC Name 1-(1H-imidazole-1-carbonyl)-1H-imidazole
InChI Key PFKFTWBEEFSNDU-UHFFFAOYSA-N
Molecular Formula C7H6N4O
32

1,1'-Oxalyldiimidazole 95.0+%, TCI America™
SDP

CAS: 18637-83-7 Molecular Formula: C8H6N4O2 Molecular Weight (g/mol): 190.16 MDL Number: MFCD00043067 InChI Key: ONRNRVLJHFFBJG-UHFFFAOYSA-N Synonym: 1,1'-oxalyldiimidazole,1,2-di 1h-imidazol-1-yl ethane-1,2-dione,1h-imidazole, 1,1'-1,2-dioxo-1,2-ethanediyl bis,oxalic acid diimidazolide,1,2-di imidazol-1-yl ethane-1,2-dione,bis imidazol-1-yl ethane-1,2-dione,1,1-oxalyldiimidazole,acmc-1cacg,1,1'-oxalyl-diimidazol,1,1'-oxalyldi 1h-imidazole PubChem CID: 100439 IUPAC Name: bis(1H-imidazol-1-yl)ethane-1,2-dione SMILES: O=C(N1C=CN=C1)C(=O)N1C=CN=C1

PubChem CID 100439
CAS 18637-83-7
Molecular Weight (g/mol) 190.16
MDL Number MFCD00043067
SMILES O=C(N1C=CN=C1)C(=O)N1C=CN=C1
Synonym 1,1'-oxalyldiimidazole,1,2-di 1h-imidazol-1-yl ethane-1,2-dione,1h-imidazole, 1,1'-1,2-dioxo-1,2-ethanediyl bis,oxalic acid diimidazolide,1,2-di imidazol-1-yl ethane-1,2-dione,bis imidazol-1-yl ethane-1,2-dione,1,1-oxalyldiimidazole,acmc-1cacg,1,1'-oxalyl-diimidazol,1,1'-oxalyldi 1h-imidazole
IUPAC Name bis(1H-imidazol-1-yl)ethane-1,2-dione
InChI Key ONRNRVLJHFFBJG-UHFFFAOYSA-N
Molecular Formula C8H6N4O2
33

Sulfamethoxazole 98.0+%, TCI America™
SDP

CAS: 723-46-6 Molecular Formula: C10H11N3O3S Molecular Weight (g/mol): 253.276 MDL Number: MFCD00010546 InChI Key: JLKIGFTWXXRPMT-UHFFFAOYSA-N Synonym: sulfamethoxazole,sulphamethoxazole,sulfisomezole,gantanol,sulfamethoxazol,metoxal,sulfamethylisoxazole,simsinomin,radonil,sinomin PubChem CID: 5329 ChEBI: CHEBI:9332 IUPAC Name: 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide SMILES: CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N

PubChem CID 5329
CAS 723-46-6
Molecular Weight (g/mol) 253.276
ChEBI CHEBI:9332
MDL Number MFCD00010546
SMILES CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N
Synonym sulfamethoxazole,sulphamethoxazole,sulfisomezole,gantanol,sulfamethoxazol,metoxal,sulfamethylisoxazole,simsinomin,radonil,sinomin
IUPAC Name 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
InChI Key JLKIGFTWXXRPMT-UHFFFAOYSA-N
Molecular Formula C10H11N3O3S
34

5-Phenyl-1,3-oxazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 99924-18-2 Molecular Formula: C10H7NO3 Molecular Weight (g/mol): 189.17 MDL Number: MFCD00105447 InChI Key: RUKDIKJSGDVSIF-UHFFFAOYSA-N Synonym: 5-phenyloxazole-4-carboxylic acid,5-phenyl-4-oxazolecarboxylic acid,4-oxazolecarboxylic acid, 5-phenyl,5-phenyl-oxazole-4-carboxylic acid,buttpark 15357-35,4-carboxy-5-phenyl-1,3-oxazole,4-oxazolecarboxylicacid, 5-phenyl,5-phenyl-1,3-oxazol-4-ylcarboxylic acid,saltdata: free,2-amino-1,2,3,4-tetrahydro-5,8-dimethoxy-2-naphthalenecarboxylic acid methyl ester PubChem CID: 2776299 IUPAC Name: 5-phenyl-1,3-oxazole-4-carboxylic acid SMILES: OC(=O)C1=C(OC=N1)C1=CC=CC=C1

PubChem CID 2776299
CAS 99924-18-2
Molecular Weight (g/mol) 189.17
MDL Number MFCD00105447
SMILES OC(=O)C1=C(OC=N1)C1=CC=CC=C1
Synonym 5-phenyloxazole-4-carboxylic acid,5-phenyl-4-oxazolecarboxylic acid,4-oxazolecarboxylic acid, 5-phenyl,5-phenyl-oxazole-4-carboxylic acid,buttpark 15357-35,4-carboxy-5-phenyl-1,3-oxazole,4-oxazolecarboxylicacid, 5-phenyl,5-phenyl-1,3-oxazol-4-ylcarboxylic acid,saltdata: free,2-amino-1,2,3,4-tetrahydro-5,8-dimethoxy-2-naphthalenecarboxylic acid methyl ester
IUPAC Name 5-phenyl-1,3-oxazole-4-carboxylic acid
InChI Key RUKDIKJSGDVSIF-UHFFFAOYSA-N
Molecular Formula C10H7NO3
35

Ethyl 2-aminothiazole-4-carboxylate, 98%, Thermo Scientific Chemicals

CAS: 5398-36-7 Molecular Formula: C6H8N2O2S Molecular Weight (g/mol): 172.202 MDL Number: MFCD00619079 InChI Key: XHFUVBWCMLLKOZ-UHFFFAOYSA-N Synonym: ethyl 2-aminothiazole-4-carboxylate,2-amino-thiazole-4-carboxylic acid ethyl ester,ethyl 2-amino-4-thiazolecarboxylate,4-thiazolecarboxylic acid, 2-amino-, ethyl ester,ethyl 2-amino-4-thiazoleformate,2-amino-4-ethoxycarbonylthiazole,2-aminothiazole-4-ethyl formate,2-aminothiazole-4-carboxylic acid ethyl ester,ethyl-2-aminothiazole-4-carboxylate,ethyl-2-aminothiazole-4-carboxylic acid PubChem CID: 73216 IUPAC Name: ethyl 2-amino-1,3-thiazole-4-carboxylate SMILES: CCOC(=O)C1=CSC(=N1)N

PubChem CID 73216
CAS 5398-36-7
Molecular Weight (g/mol) 172.202
MDL Number MFCD00619079
SMILES CCOC(=O)C1=CSC(=N1)N
Synonym ethyl 2-aminothiazole-4-carboxylate,2-amino-thiazole-4-carboxylic acid ethyl ester,ethyl 2-amino-4-thiazolecarboxylate,4-thiazolecarboxylic acid, 2-amino-, ethyl ester,ethyl 2-amino-4-thiazoleformate,2-amino-4-ethoxycarbonylthiazole,2-aminothiazole-4-ethyl formate,2-aminothiazole-4-carboxylic acid ethyl ester,ethyl-2-aminothiazole-4-carboxylate,ethyl-2-aminothiazole-4-carboxylic acid
IUPAC Name ethyl 2-amino-1,3-thiazole-4-carboxylate
InChI Key XHFUVBWCMLLKOZ-UHFFFAOYSA-N
Molecular Formula C6H8N2O2S
36

3-Amino-6-bromo-1H-indazole, 97%

CAS: 404827-77-6 Molecular Formula: C7H6BrN3 Molecular Weight (g/mol): 212.05 MDL Number: MFCD05665872 InChI Key: WLDHNAMVDBASAW-UHFFFAOYSA-N PubChem CID: 2786631 IUPAC Name: 6-bromo-1H-indazol-3-amine SMILES: C1=CC2=C(C=C1Br)NN=C2N

PubChem CID 2786631
CAS 404827-77-6
Molecular Weight (g/mol) 212.05
MDL Number MFCD05665872
SMILES C1=CC2=C(C=C1Br)NN=C2N
IUPAC Name 6-bromo-1H-indazol-3-amine
InChI Key WLDHNAMVDBASAW-UHFFFAOYSA-N
Molecular Formula C7H6BrN3
37

[5-(2-Furyl)-1H-pyrazol-3-yl]methanol, 97%, Thermo Scientific™

CAS: 84978-67-6 Molecular Formula: C8H8N2O2 Molecular Weight (g/mol): 164.164 InChI Key: NBADTAIDQSLLHA-UHFFFAOYSA-N Synonym: 5-2-furyl-1h-pyrazol-3-yl methanol,5-furan-2-yl-1h-pyrazol-3-yl methanol,3-furan-2-yl-1h-pyrazol-5-yl methanol,5-2-furyl pyrazol-3-yl methan-1-ol,1h-pyrazole-3-methanol,5-2-furanyl,5-2-furyl-1h-pyrazol-4-yl methanol,5-fur-2-yl-1h-pyrazol-3-yl methanol,5-furan-2-yl-2h-pyrazol-3-yl methanol PubChem CID: 7060534 IUPAC Name: [3-(furan-2-yl)-1H-pyrazol-5-yl]methanol SMILES: C1=COC(=C1)C2=NNC(=C2)CO

PubChem CID 7060534
CAS 84978-67-6
Molecular Weight (g/mol) 164.164
SMILES C1=COC(=C1)C2=NNC(=C2)CO
Synonym 5-2-furyl-1h-pyrazol-3-yl methanol,5-furan-2-yl-1h-pyrazol-3-yl methanol,3-furan-2-yl-1h-pyrazol-5-yl methanol,5-2-furyl pyrazol-3-yl methan-1-ol,1h-pyrazole-3-methanol,5-2-furanyl,5-2-furyl-1h-pyrazol-4-yl methanol,5-fur-2-yl-1h-pyrazol-3-yl methanol,5-furan-2-yl-2h-pyrazol-3-yl methanol
IUPAC Name [3-(furan-2-yl)-1H-pyrazol-5-yl]methanol
InChI Key NBADTAIDQSLLHA-UHFFFAOYSA-N
Molecular Formula C8H8N2O2
38

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
39

4-(1H-Imidazol-1-yl)benzenecarbothioamide, 97%, Thermo Scientific™

CAS: 423769-74-8 Molecular Formula: C10H9N3S Molecular Weight (g/mol): 203.263 MDL Number: MFCD03659704 InChI Key: QUJXJNDFQWCYLF-UHFFFAOYSA-N Synonym: 4-1h-imidazol-1-yl benzenecarbothioamide,benzenecarbothioamide,4-1h-imidazol-1-yl,4-imidazol-1-yl benzenecarbothioamide,amino 4-imidazolylphenyl methane-1-thione,4-1h-imidazol-1-yl benzothioamide PubChem CID: 2776487 IUPAC Name: 4-imidazol-1-ylbenzenecarbothioamide SMILES: C1=CC(=CC=C1C(=S)N)N2C=CN=C2

PubChem CID 2776487
CAS 423769-74-8
Molecular Weight (g/mol) 203.263
MDL Number MFCD03659704
SMILES C1=CC(=CC=C1C(=S)N)N2C=CN=C2
Synonym 4-1h-imidazol-1-yl benzenecarbothioamide,benzenecarbothioamide,4-1h-imidazol-1-yl,4-imidazol-1-yl benzenecarbothioamide,amino 4-imidazolylphenyl methane-1-thione,4-1h-imidazol-1-yl benzothioamide
IUPAC Name 4-imidazol-1-ylbenzenecarbothioamide
InChI Key QUJXJNDFQWCYLF-UHFFFAOYSA-N
Molecular Formula C10H9N3S
40

Potassium tris(3,5-dimethyl-1-pyrazolyl)borohydride, 99%

CAS: 17567-17-8 Molecular Formula: C15H22BKN6 Molecular Weight (g/mol): 336.29 MDL Number: MFCD00040342 InChI Key: NTWZGFNSHCFHIJ-UHFFFAOYSA-N Synonym: potassium hydrotris 3,5-dimethylpyrazol-1-yl borate,potassium;tris 3,5-dimethylpyrazol-1-yl boron 1-,potassium tri 3,5-dimethyl-1-pyrazolyl borohydride,potassium tris 3,5-dimethyl-1h-pyrazol-1-yl hydrido borate 1- IUPAC Name: potassium tris(3,5-dimethyl-1H-pyrazol-1-yl)boranuide SMILES: [K+].CC1=NN([BH-](N2N=C(C)C=C2C)N2N=C(C)C=C2C)C(C)=C1

CAS 17567-17-8
Molecular Weight (g/mol) 336.29
MDL Number MFCD00040342
SMILES [K+].CC1=NN([BH-](N2N=C(C)C=C2C)N2N=C(C)C=C2C)C(C)=C1
Synonym potassium hydrotris 3,5-dimethylpyrazol-1-yl borate,potassium;tris 3,5-dimethylpyrazol-1-yl boron 1-,potassium tri 3,5-dimethyl-1-pyrazolyl borohydride,potassium tris 3,5-dimethyl-1h-pyrazol-1-yl hydrido borate 1-
IUPAC Name potassium tris(3,5-dimethyl-1H-pyrazol-1-yl)boranuide
InChI Key NTWZGFNSHCFHIJ-UHFFFAOYSA-N
Molecular Formula C15H22BKN6
41

2-Phenylimidazole, 98%

CAS: 670-96-2 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.18 MDL Number: MFCD00005186 InChI Key: ZCUJYXPAKHMBAZ-UHFFFAOYSA-N Synonym: 2-phenylimidazole,1h-imidazole, 2-phenyl,imidazole, 2-phenyl,2-phenyl imidazole,2-phenyl-1h-imidazol,unii-7r2590hm4l,chembl14189,phenyl imidazole,2-phenyl-imidazole,piy PubChem CID: 69591 IUPAC Name: 2-phenyl-1H-imidazole SMILES: N1C=CN=C1C1=CC=CC=C1

PubChem CID 69591
CAS 670-96-2
Molecular Weight (g/mol) 144.18
MDL Number MFCD00005186
SMILES N1C=CN=C1C1=CC=CC=C1
Synonym 2-phenylimidazole,1h-imidazole, 2-phenyl,imidazole, 2-phenyl,2-phenyl imidazole,2-phenyl-1h-imidazol,unii-7r2590hm4l,chembl14189,phenyl imidazole,2-phenyl-imidazole,piy
IUPAC Name 2-phenyl-1H-imidazole
InChI Key ZCUJYXPAKHMBAZ-UHFFFAOYSA-N
Molecular Formula C9H8N2
42

4-Methylthiazole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 20485-41-0 Molecular Formula: C5H5NO2S Molecular Weight (g/mol): 143.17 InChI Key: ZGWGSEUMABQEMD-UHFFFAOYSA-N Synonym: 4-methylthiazole-5-carboxylic acid,4-methyl-5-thiazolecarboxylic acid,5-thiazolecarboxylic acid, 4-methyl,4-methyl-thiazole-5-carboxylic acid,4-methyl-5-thiazole carboxylic acid,4-methylthiazole-5-carboxylicacid,pubchem8416,acmc-209far,4-27-00-04008 beilstein handbook reference,ksc201q4f PubChem CID: 209805 IUPAC Name: 4-methyl-1,3-thiazole-5-carboxylic acid SMILES: CC1=C(SC=N1)C(=O)O

PubChem CID 209805
CAS 20485-41-0
Molecular Weight (g/mol) 143.17
SMILES CC1=C(SC=N1)C(=O)O
Synonym 4-methylthiazole-5-carboxylic acid,4-methyl-5-thiazolecarboxylic acid,5-thiazolecarboxylic acid, 4-methyl,4-methyl-thiazole-5-carboxylic acid,4-methyl-5-thiazole carboxylic acid,4-methylthiazole-5-carboxylicacid,pubchem8416,acmc-209far,4-27-00-04008 beilstein handbook reference,ksc201q4f
IUPAC Name 4-methyl-1,3-thiazole-5-carboxylic acid
InChI Key ZGWGSEUMABQEMD-UHFFFAOYSA-N
Molecular Formula C5H5NO2S
43

1-Allyl-3-methylimidazolium chloride, 98%

CAS: 65039-10-3 Molecular Formula: C7H11ClN2 Molecular Weight (g/mol): 158.629 MDL Number: MFCD07784450 InChI Key: QVRCRKLLQYOIKY-UHFFFAOYSA-M Synonym: 1-allyl-3-methylimidazolium chloride,1-allyl-3-methyl-1h-imidazol-3-ium chloride,1-methyl-3-prop-2-en-1-yl imidazol-1-ium chloride,amim-cl,1-allyl-3-methylimidazoliumchloride,dsstox_cid_27904,dsstox_rid_82657,dsstox_gsid_47928,1-methyl-3-allylimidazolium chloride,1-allyl-3-methyl-3-imidazolium chloride PubChem CID: 11321106 IUPAC Name: 1-methyl-3-prop-2-enylimidazol-1-ium;chloride SMILES: C[N+]1=CN(C=C1)CC=C.[Cl-]

PubChem CID 11321106
CAS 65039-10-3
Molecular Weight (g/mol) 158.629
MDL Number MFCD07784450
SMILES C[N+]1=CN(C=C1)CC=C.[Cl-]
Synonym 1-allyl-3-methylimidazolium chloride,1-allyl-3-methyl-1h-imidazol-3-ium chloride,1-methyl-3-prop-2-en-1-yl imidazol-1-ium chloride,amim-cl,1-allyl-3-methylimidazoliumchloride,dsstox_cid_27904,dsstox_rid_82657,dsstox_gsid_47928,1-methyl-3-allylimidazolium chloride,1-allyl-3-methyl-3-imidazolium chloride
IUPAC Name 1-methyl-3-prop-2-enylimidazol-1-ium;chloride
InChI Key QVRCRKLLQYOIKY-UHFFFAOYSA-M
Molecular Formula C7H11ClN2
44

3-(Chloromethyl)-1,2,4-oxadiazole, Technical Grade, Thermo Scientific™

CAS: 51791-12-9 Molecular Formula: C3H3ClN2O Molecular Weight (g/mol): 118.52 MDL Number: MFCD00052097 InChI Key: YSNKGJCEHOJIDK-UHFFFAOYSA-N PubChem CID: 2735765 IUPAC Name: 3-(chloromethyl)-1,2,4-oxadiazole SMILES: ClCC1=NOC=N1

PubChem CID 2735765
CAS 51791-12-9
Molecular Weight (g/mol) 118.52
MDL Number MFCD00052097
SMILES ClCC1=NOC=N1
IUPAC Name 3-(chloromethyl)-1,2,4-oxadiazole
InChI Key YSNKGJCEHOJIDK-UHFFFAOYSA-N
Molecular Formula C3H3ClN2O
45

1-Methyl-1H-benzimidazole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 53484-17-6 Molecular Formula: C9H8N2O2 Molecular Weight (g/mol): 176.175 MDL Number: MFCD06809665 InChI Key: KAJLCBKTWRUQOI-UHFFFAOYSA-N Synonym: 1-methyl-1h-benzimidazole-5-carboxylic acid,1-methyl-1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylic acid, 1-methyl,1-methyl-1h-1,3-benzodiazole-5-carboxylic acid,1-methyl-1,3-benzodiazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid, 1-methyl,1-methyl-5-benzimidazolecarboxylic acid,1-methyl-1h-benzimidazole-5-carboxylicacid,1-methylbenzimidazol-5-carboxylic acid,1-methylbenzimidazole-5-carboxylicacid PubChem CID: 4913063 IUPAC Name: 1-methylbenzimidazole-5-carboxylic acid SMILES: CN1C=NC2=C1C=CC(=C2)C(=O)O

PubChem CID 4913063
CAS 53484-17-6
Molecular Weight (g/mol) 176.175
MDL Number MFCD06809665
SMILES CN1C=NC2=C1C=CC(=C2)C(=O)O
Synonym 1-methyl-1h-benzimidazole-5-carboxylic acid,1-methyl-1h-benzo d imidazole-5-carboxylic acid,1h-benzimidazole-5-carboxylic acid, 1-methyl,1-methyl-1h-1,3-benzodiazole-5-carboxylic acid,1-methyl-1,3-benzodiazole-5-carboxylic acid,1h-benzimidazole-5-carboxylicacid, 1-methyl,1-methyl-5-benzimidazolecarboxylic acid,1-methyl-1h-benzimidazole-5-carboxylicacid,1-methylbenzimidazol-5-carboxylic acid,1-methylbenzimidazole-5-carboxylicacid
IUPAC Name 1-methylbenzimidazole-5-carboxylic acid
InChI Key KAJLCBKTWRUQOI-UHFFFAOYSA-N
Molecular Formula C9H8N2O2