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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 (2,889)
Thiazoles (1,947)
Pyrazoles (1,477)
Triazoles (581)
Oxazoles (542)
Oxadiazoles (241)
Isoxazoles (226)
Thiadiazoles (72)
Dithiazoles (4)

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46 – 60 of 6,755 results
46

2-(4-pyridyl)-1,3-thiazole-4-carboxylic acid, Thermo Scientific™

CAS: 21278-86-4 Molecular Formula: C9H5N2O2S Molecular Weight (g/mol): 205.21 MDL Number: MFCD00171745 InChI Key: COOQMBOJAAZEIR-UHFFFAOYSA-M Synonym: 2-pyridin-4-yl thiazole-4-carboxylic acid,2-4-pyridyl thiazole-4-carboxylic acid,2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid,2-4-pyridyl-1,3-thiazole-4-carboxylic acid,2-4-pyridinyl-1,3-thiazole-4-carboxylic acid,2-pyridin-4-yl-thiazole-4-carboxylic acid,4-thiazolecarboxylicacid, 2-4-pyridinyl,acmc-1cr1v,4-thiazolecarboxylic acid, 2-4-pyridinyl,4-carboxy-2-4-pyridyl thiazole PubChem CID: 716091 IUPAC Name: 2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid SMILES: [O-]C(=O)C1=CSC(=N1)C1=CC=NC=C1

PubChem CID 716091
CAS 21278-86-4
Molecular Weight (g/mol) 205.21
MDL Number MFCD00171745
SMILES [O-]C(=O)C1=CSC(=N1)C1=CC=NC=C1
Synonym 2-pyridin-4-yl thiazole-4-carboxylic acid,2-4-pyridyl thiazole-4-carboxylic acid,2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid,2-4-pyridyl-1,3-thiazole-4-carboxylic acid,2-4-pyridinyl-1,3-thiazole-4-carboxylic acid,2-pyridin-4-yl-thiazole-4-carboxylic acid,4-thiazolecarboxylicacid, 2-4-pyridinyl,acmc-1cr1v,4-thiazolecarboxylic acid, 2-4-pyridinyl,4-carboxy-2-4-pyridyl thiazole
IUPAC Name 2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid
InChI Key COOQMBOJAAZEIR-UHFFFAOYSA-M
Molecular Formula C9H5N2O2S
47

[5-(2-Furyl)isoxazol-3-yl]methanol, ≥97%, Thermo Scientific™

CAS: 852180-63-3 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.148 MDL Number: MFCD07772820 InChI Key: NBBDGNIUCJFJPO-UHFFFAOYSA-N Synonym: 5-2-furyl isoxazol-3-yl methanol,5-furan-2-yl-1,2-oxazol-3-yl methanol,5-furan-2-yl isoxazol-3-yl methanol,5-2-furyl isoxazol-3-yl methan-1-ol,5-2-furanyl-3-isoxazolylmethanol,5-2-furyl-3-isoxazolyl methanol,5-furan-2-yl-isoxazol-3-yl-methanol PubChem CID: 7164591 IUPAC Name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methanol SMILES: C1=COC(=C1)C2=CC(=NO2)CO

PubChem CID 7164591
CAS 852180-63-3
Molecular Weight (g/mol) 165.148
MDL Number MFCD07772820
SMILES C1=COC(=C1)C2=CC(=NO2)CO
Synonym 5-2-furyl isoxazol-3-yl methanol,5-furan-2-yl-1,2-oxazol-3-yl methanol,5-furan-2-yl isoxazol-3-yl methanol,5-2-furyl isoxazol-3-yl methan-1-ol,5-2-furanyl-3-isoxazolylmethanol,5-2-furyl-3-isoxazolyl methanol,5-furan-2-yl-isoxazol-3-yl-methanol
IUPAC Name [5-(furan-2-yl)-1,2-oxazol-3-yl]methanol
InChI Key NBBDGNIUCJFJPO-UHFFFAOYSA-N
Molecular Formula C8H7NO3
48

2-(5-Methyl-2-phenyl-1,3-oxazol-4-yl)ethan-1-ol, 97%, Thermo Scientific™

CAS: 103788-65-4 Molecular Formula: C12H13NO2 Molecular Weight (g/mol): 203.241 MDL Number: MFCD00100006 InChI Key: JYWHQBLLIBQGCU-UHFFFAOYSA-N PubChem CID: 725585 IUPAC Name: 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanol SMILES: CC1=C(N=C(O1)C2=CC=CC=C2)CCO

PubChem CID 725585
CAS 103788-65-4
Molecular Weight (g/mol) 203.241
MDL Number MFCD00100006
SMILES CC1=C(N=C(O1)C2=CC=CC=C2)CCO
IUPAC Name 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanol
InChI Key JYWHQBLLIBQGCU-UHFFFAOYSA-N
Molecular Formula C12H13NO2
49

1-n-Butyl-3-methylimidazolium bromide, 99%

CAS: 85100-77-2 Molecular Formula: C8H15BrN2 Molecular Weight (g/mol): 219.126 MDL Number: MFCD03427611 InChI Key: KYCQOKLOSUBEJK-UHFFFAOYSA-M Synonym: 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide PubChem CID: 2734236 IUPAC Name: 1-butyl-3-methylimidazol-3-ium;bromide SMILES: CCCCN1C=C[N+](=C1)C.[Br-]

PubChem CID 2734236
CAS 85100-77-2
Molecular Weight (g/mol) 219.126
MDL Number MFCD03427611
SMILES CCCCN1C=C[N+](=C1)C.[Br-]
Synonym 1-butyl-3-methylimidazolium bromide,3-butyl-1-methyl-1h-imidazol-3-ium bromide,bmimbr,1-n-butyl-3-methylimidazolium bromide,1-butyl-3-methyl-1h-imidazol-3-ium bromide,bmim br,c4mim bromide,ksc491c7d,1-butyl-3-methylimidazoliumbromide
IUPAC Name 1-butyl-3-methylimidazol-3-ium;bromide
InChI Key KYCQOKLOSUBEJK-UHFFFAOYSA-M
Molecular Formula C8H15BrN2
50

2,9-Diacetylguanine, 96%, Thermo Scientific™

CAS: 3056-33-5 Molecular Formula: C9H9N5O3 Molecular Weight (g/mol): 235.20 MDL Number: MFCD00142116 InChI Key: GILZZWCROUGLIS-UHFFFAOYSA-N PubChem CID: 76461 IUPAC Name: N-(9-acetyl-6-oxo-3H-purin-2-yl)acetamide SMILES: CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C(C)=O

PubChem CID 76461
CAS 3056-33-5
Molecular Weight (g/mol) 235.20
MDL Number MFCD00142116
SMILES CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C(C)=O
IUPAC Name N-(9-acetyl-6-oxo-3H-purin-2-yl)acetamide
InChI Key GILZZWCROUGLIS-UHFFFAOYSA-N
Molecular Formula C9H9N5O3
51

2-Amino-5-n-propylsulfonylbenzimidazole, 98+%

CAS: 80983-34-2 Molecular Formula: C10H13N3O2S Molecular Weight (g/mol): 239.29 MDL Number: MFCD01075656 InChI Key: WTPBIYSMFKUQKY-UHFFFAOYSA-N Synonym: albendazole-2-aminosulfone,2-amino-5-propylsulphonylbenzimidazole,2-amino-5-n-propylsulfonylbenzimidazole,1h-benzimidazol-2-amine, 5-propylsulfonyl,5-propylsulfonyl-1h-benzo d imidazol-2-amine,2-amino-5-n-propylsulphonylbenzimidazole,abz2nh2,5-propylsulfonyl-1h-benzimidazol-2-amine,5-propylsulphonyl-1h-benzimidazol-2-amine,5-propane-1-sulfonyl-1h-1,3-benzodiazol-2-amine PubChem CID: 88125 ChEBI: CHEBI:80621 IUPAC Name: 6-propylsulfonyl-1H-benzimidazol-2-amine SMILES: CCCS(=O)(=O)C1=CC=C2N=C(N)NC2=C1

PubChem CID 88125
CAS 80983-34-2
Molecular Weight (g/mol) 239.29
ChEBI CHEBI:80621
MDL Number MFCD01075656
SMILES CCCS(=O)(=O)C1=CC=C2N=C(N)NC2=C1
Synonym albendazole-2-aminosulfone,2-amino-5-propylsulphonylbenzimidazole,2-amino-5-n-propylsulfonylbenzimidazole,1h-benzimidazol-2-amine, 5-propylsulfonyl,5-propylsulfonyl-1h-benzo d imidazol-2-amine,2-amino-5-n-propylsulphonylbenzimidazole,abz2nh2,5-propylsulfonyl-1h-benzimidazol-2-amine,5-propylsulphonyl-1h-benzimidazol-2-amine,5-propane-1-sulfonyl-1h-1,3-benzodiazol-2-amine
IUPAC Name 6-propylsulfonyl-1H-benzimidazol-2-amine
InChI Key WTPBIYSMFKUQKY-UHFFFAOYSA-N
Molecular Formula C10H13N3O2S
52

4-(chloromethyl)-2-(2-thienyl)-1,3-thiazole, 97%, Thermo Scientific™

CAS: 54679-16-2 Molecular Formula: C8H6ClNS2 Molecular Weight (g/mol): 215.71 MDL Number: MFCD01571296 InChI Key: CGJJBHKYGNSTDK-UHFFFAOYSA-N PubChem CID: 736496 IUPAC Name: 4-(chloromethyl)-2-thiophen-2-yl-1,3-thiazole SMILES: ClCC1=CSC(=N1)C1=CC=CS1

PubChem CID 736496
CAS 54679-16-2
Molecular Weight (g/mol) 215.71
MDL Number MFCD01571296
SMILES ClCC1=CSC(=N1)C1=CC=CS1
IUPAC Name 4-(chloromethyl)-2-thiophen-2-yl-1,3-thiazole
InChI Key CGJJBHKYGNSTDK-UHFFFAOYSA-N
Molecular Formula C8H6ClNS2
53

5-(Trifluoromethyl)-1H-indazole, 97%, Thermo Scientific™

CAS: 885271-64-7 Molecular Formula: C8H5F3N2 Molecular Weight (g/mol): 186.137 InChI Key: WBHMPANPIGWXQV-UHFFFAOYSA-N Synonym: 5-trifluoromethyl-1h-indazole,1h-indazole,5-trifluoromethyl PubChem CID: 21409222 IUPAC Name: 5-(trifluoromethyl)-1H-indazole SMILES: C1=CC2=C(C=C1C(F)(F)F)C=NN2

PubChem CID 21409222
CAS 885271-64-7
Molecular Weight (g/mol) 186.137
SMILES C1=CC2=C(C=C1C(F)(F)F)C=NN2
Synonym 5-trifluoromethyl-1h-indazole,1h-indazole,5-trifluoromethyl
IUPAC Name 5-(trifluoromethyl)-1H-indazole
InChI Key WBHMPANPIGWXQV-UHFFFAOYSA-N
Molecular Formula C8H5F3N2
54

2,4-Dimethyl-1,3-thiazole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 53137-27-2 Molecular Formula: C6H7NO2S Molecular Weight (g/mol): 157.187 InChI Key: MQGBARXPCXAFRZ-UHFFFAOYSA-N Synonym: 2,4-dimethylthiazole-5-carboxylic acid,dimethyl-1,3-thiazole-5-carboxylic acid,5-thiazolecarboxylic acid, 2,4-dimethyl,2,4-dimethyl-5-thiazolecarboxylic acid,2,4-dimethyl-thiazole-5-carboxylic acid,2,4-dimethylthiazole-5-carboxylicacid,ksc269g8n,2,4-dimethylthiazol-5-carboxylic acid,2,4-dimethylthiazole-5carboxylic acid,2 4-dimethylthiazole-5-carboxylic acid PubChem CID: 736488 IUPAC Name: 2,4-dimethyl-1,3-thiazole-5-carboxylic acid SMILES: CC1=C(SC(=N1)C)C(=O)O

PubChem CID 736488
CAS 53137-27-2
Molecular Weight (g/mol) 157.187
SMILES CC1=C(SC(=N1)C)C(=O)O
Synonym 2,4-dimethylthiazole-5-carboxylic acid,dimethyl-1,3-thiazole-5-carboxylic acid,5-thiazolecarboxylic acid, 2,4-dimethyl,2,4-dimethyl-5-thiazolecarboxylic acid,2,4-dimethyl-thiazole-5-carboxylic acid,2,4-dimethylthiazole-5-carboxylicacid,ksc269g8n,2,4-dimethylthiazol-5-carboxylic acid,2,4-dimethylthiazole-5carboxylic acid,2 4-dimethylthiazole-5-carboxylic acid
IUPAC Name 2,4-dimethyl-1,3-thiazole-5-carboxylic acid
InChI Key MQGBARXPCXAFRZ-UHFFFAOYSA-N
Molecular Formula C6H7NO2S
55

3-Phenylisoxazole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 14442-12-7 Molecular Formula: C10H7NO3 Molecular Weight (g/mol): 189.17 MDL Number: MFCD01936010 InChI Key: YGTFDJRCCBKLDM-UHFFFAOYSA-N Synonym: 3-phenylisoxazole-5-carboxylic acid,3-phenyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-phenyl,3-phenyl-isoxazole-5-carboxylic acid,phenylisoxazolecarboxylicacid,5-carboxy-3-phenylisoxazole,3-phenylisoxazole-5-carboxylic,3-phenyl-5-isoxazolecarboxylicacid,3-phenylisoxazole-5-carboxylicacid,3-phenyl-5-isoxazole carboxylic acid PubChem CID: 737474 IUPAC Name: 3-phenyl-1,2-oxazole-5-carboxylic acid SMILES: C1=CC=C(C=C1)C2=NOC(=C2)C(=O)O

PubChem CID 737474
CAS 14442-12-7
Molecular Weight (g/mol) 189.17
MDL Number MFCD01936010
SMILES C1=CC=C(C=C1)C2=NOC(=C2)C(=O)O
Synonym 3-phenylisoxazole-5-carboxylic acid,3-phenyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-phenyl,3-phenyl-isoxazole-5-carboxylic acid,phenylisoxazolecarboxylicacid,5-carboxy-3-phenylisoxazole,3-phenylisoxazole-5-carboxylic,3-phenyl-5-isoxazolecarboxylicacid,3-phenylisoxazole-5-carboxylicacid,3-phenyl-5-isoxazole carboxylic acid
IUPAC Name 3-phenyl-1,2-oxazole-5-carboxylic acid
InChI Key YGTFDJRCCBKLDM-UHFFFAOYSA-N
Molecular Formula C10H7NO3
56

3,5-Dimethyl-4H-1,2,4-triazol-4-amine, 97%, Thermo Scientific™

CAS: 3530-15-2 Molecular Formula: C4H8N4 Molecular Weight (g/mol): 112.136 MDL Number: MFCD00051647 InChI Key: MIIKMZAVLKMOFM-UHFFFAOYSA-N PubChem CID: 229800 IUPAC Name: 3,5-dimethyl-1,2,4-triazol-4-amine SMILES: CC1=NN=C(N1N)C

PubChem CID 229800
CAS 3530-15-2
Molecular Weight (g/mol) 112.136
MDL Number MFCD00051647
SMILES CC1=NN=C(N1N)C
IUPAC Name 3,5-dimethyl-1,2,4-triazol-4-amine
InChI Key MIIKMZAVLKMOFM-UHFFFAOYSA-N
Molecular Formula C4H8N4
57

4-(2-Bromophenyl)-2-methyl-1,3-thiazole, 97%, Thermo Scientific™

CAS: 941717-01-7 Molecular Formula: C10H8BrNS Molecular Weight (g/mol): 254.15 MDL Number: MFCD09879981 InChI Key: SXJQVZDDCODIST-UHFFFAOYSA-N Synonym: 4-2-bromophenyl-2-methyl-1,3-thiazole,4-2-bromophenyl-2-methylthiazole PubChem CID: 24229764 IUPAC Name: 4-(2-bromophenyl)-2-methyl-1,3-thiazole SMILES: CC1=NC(=CS1)C1=CC=CC=C1Br

PubChem CID 24229764
CAS 941717-01-7
Molecular Weight (g/mol) 254.15
MDL Number MFCD09879981
SMILES CC1=NC(=CS1)C1=CC=CC=C1Br
Synonym 4-2-bromophenyl-2-methyl-1,3-thiazole,4-2-bromophenyl-2-methylthiazole
IUPAC Name 4-(2-bromophenyl)-2-methyl-1,3-thiazole
InChI Key SXJQVZDDCODIST-UHFFFAOYSA-N
Molecular Formula C10H8BrNS
58

2-Phenyl-1,3-thiazole-4-carbonyl chloride, Thermo Scientific™

CAS: 36094-04-9 Molecular Formula: C10H6ClNOS Molecular Weight (g/mol): 223.674 InChI Key: ZZFOIDMEHXGBKS-UHFFFAOYSA-N Synonym: 2-phenylthiazole-4-carbonyl chloride,2-phenyl-thiazole-4-carbonyl chloride,4-thiazolecarbonylchloride, 2-phenyl PubChem CID: 2776472 IUPAC Name: 2-phenyl-1,3-thiazole-4-carbonyl chloride SMILES: C1=CC=C(C=C1)C2=NC(=CS2)C(=O)Cl

PubChem CID 2776472
CAS 36094-04-9
Molecular Weight (g/mol) 223.674
SMILES C1=CC=C(C=C1)C2=NC(=CS2)C(=O)Cl
Synonym 2-phenylthiazole-4-carbonyl chloride,2-phenyl-thiazole-4-carbonyl chloride,4-thiazolecarbonylchloride, 2-phenyl
IUPAC Name 2-phenyl-1,3-thiazole-4-carbonyl chloride
InChI Key ZZFOIDMEHXGBKS-UHFFFAOYSA-N
Molecular Formula C10H6ClNOS
59

1-Ethyl-3-methylimidazolium acetate, 97%

CAS: 143314-17-4 Molecular Formula: C8H14N2O2 Molecular Weight (g/mol): 170.212 MDL Number: MFCD06798186 InChI Key: XIYUIMLQTKODPS-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc PubChem CID: 11658353 IUPAC Name: 1-ethyl-3-methylimidazol-3-ium;acetate SMILES: CCN1C=C[N+](=C1)C.CC(=O)[O-]

PubChem CID 11658353
CAS 143314-17-4
Molecular Weight (g/mol) 170.212
MDL Number MFCD06798186
SMILES CCN1C=C[N+](=C1)C.CC(=O)[O-]
Synonym 1-ethyl-3-methylimidazolium acetate,basionic tm bc 01,emim ac,1-ethyl-3-methylimidazoliumacetate,basionics™ bc 01,acmc-1c26d,1h-imidazolium, 3-ethyl-1-methyl-, acetate 1:1,1-methyl-3-ethylimidazolium acetate,1-ethyl-3-methylimidazolium acetate hplc
IUPAC Name 1-ethyl-3-methylimidazol-3-ium;acetate
InChI Key XIYUIMLQTKODPS-UHFFFAOYSA-M
Molecular Formula C8H14N2O2
60

1-(trans-Cinnamoyl)imidazole, 98%, Thermo Scientific Chemicals

CAS: 1138-15-4 Molecular Formula: C12H10N2O Molecular Weight (g/mol): 198.225 MDL Number: MFCD00005288 InChI Key: XVGXMXZUJNAGFZ-VOTSOKGWSA-N Synonym: n-trans-cinnamoylimidazole,trans-cinnamoylimidazole,imidazole, 1-cinnamoyl-, e,imidazole, 1-cinnamoyl-, trans,imidazole, trans,1-trans-cinnamoyl imidazole,imidazole, e,e-1-1h-imidazol-1-yl-3-phenylprop-2-en-1-one,1h-imidazole, e,2e-1-imidazolyl-3-phenylprop-2-en-1-one PubChem CID: 5357650 IUPAC Name: (E)-1-imidazol-1-yl-3-phenylprop-2-en-1-one SMILES: C1=CC=C(C=C1)C=CC(=O)N2C=CN=C2

PubChem CID 5357650
CAS 1138-15-4
Molecular Weight (g/mol) 198.225
MDL Number MFCD00005288
SMILES C1=CC=C(C=C1)C=CC(=O)N2C=CN=C2
Synonym n-trans-cinnamoylimidazole,trans-cinnamoylimidazole,imidazole, 1-cinnamoyl-, e,imidazole, 1-cinnamoyl-, trans,imidazole, trans,1-trans-cinnamoyl imidazole,imidazole, e,e-1-1h-imidazol-1-yl-3-phenylprop-2-en-1-one,1h-imidazole, e,2e-1-imidazolyl-3-phenylprop-2-en-1-one
IUPAC Name (E)-1-imidazol-1-yl-3-phenylprop-2-en-1-one
InChI Key XVGXMXZUJNAGFZ-VOTSOKGWSA-N
Molecular Formula C12H10N2O