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Azoles
Description:
Organic compounds comprising a five-member nitrogen heterocyclic ring containing at least one other non-carbon atom of either nitrogen, sulfur, or oxygen. The parent compounds are aromatic and have two double bonds; there are successively reduced analogs (azolines and azolidines) with fewer.
Ancestors:
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N，5-Dimethylthiazol-2-amineCas Number: 52829-91-1 Compound CID: 817028Formula: C5H8N2S Molecular Weight: 128.199IUPAC Name: N,5-dimethyl-1,3-thiazol-2-amineSMILES: CC1=CN=C(S1)NCInChIKey: GAPHTBBWRUZTBC-UHFFFAOYSA-NInChI: InChI=1S/C5H8N2S/c1-4-3-7-5(6-2)8-4/h3H,1-2H3,(H,6,7) -
Methyl 2-(2-bromothiazol-4-yl)acetateCas Number: 1261589-82-5 Compound CID: 71721404Formula: C6H6BrNO2S Molecular Weight: 236.09IUPAC Name: methyl 2-(2-bromo-1,3-thiazol-4-yl)acetateSMILES: COC(=O)CC1=CSC(=N1)BrInChIKey: HDGWUKHHCPWJAP-UHFFFAOYSA-NInChI: InChI=1S/C6H6BrNO2S/c1-10-5(9)2-4-3-11-6(7)8-4/h3H,2H2,1H3
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Methyl 2-(3-methylisoxazol-5-yl)acetateCas Number: 27349-40-2 Compound CID: 12366875IUPAC Name: methyl 2-(3-methyl-1,2-oxazol-5-yl)acetateSMILES: CC1=NOC(=C1)CC(=O)OCInChIKey: YGCLJRXHTPUDFG-UHFFFAOYSA-NInChI: InChI=1S/C7H9NO3/c1-5-3-6(11-8-5)4-7(9)10-2/h3H,4H2,1-2H3
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MELK-T1Cas Number: 1610586-62-3 Compound CID: 73442760IUPAC Name: 2-methoxy-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamideSMILES: COC1=C(C=CC(=C1)C2=CNN=C2)C(=O)NC3=CC4=C(CCNCC4)C=C3InChIKey: GMZCYCKIXQZORP-UHFFFAOYSA-NInChI: InChI=1S/C21H22N4O2/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26)
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Ethyl 3-(4-(trifluoromethyl)phenyl)-1，2，4-oxadiazole-5-carboxylateCas Number: 163719-82-2Formula: C12H9F3N2O3 Molecular Weight: 286.21SMILES: CCOC(=O)C1=NC(=NO1)C2=CC=C(C=C2)C(F)(F)FInChIKey: VDTVVMFQLPTAOT-UHFFFAOYSA-NInChI: InChI=1S/C12H9F3N2O3/c1-2-19-11(18)10-16-9(17-20-10)7-3-5-8(6-4-7)12(13,14)15/h3-6H,2H2,1H3
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Ethyl 3-(1H-imidazol-2-yl)propanoateCas Number: 172499-76-2 Compound CID: 22259341Formula: C8H12N2O2 Molecular Weight: 168.19IUPAC Name: ethyl 3-(1H-imidazol-2-yl)propanoateSMILES: CCOC(=O)CCC1=NC=CN1InChIKey: KQIXNQRMDCPWIH-UHFFFAOYSA-NInChI: InChI=1S/C8H12N2O2/c1-2-12-8(11)4-3-7-9-5-6-10-7/h5-6H,2-4H2,1H3,(H,9,10)
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Ethyl 1-(4-methoxybenzyl)-1H-pyrazole-4-carboxylateCas Number: 1199590-80-1 Compound CID: 44558860Formula: C14H16N2O3 Molecular Weight: 260.28IUPAC Name: ethyl 1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylateSMILES: CCOC(=O)C1=CN(N=C1)CC2=CC=C(C=C2)OCInChIKey: KMKGIDHKTPDZRT-UHFFFAOYSA-NInChI: InChI=1S/C14H16N2O3/c1-3-19-14(17)12-8-15-16(10-12)9-11-4-6-13(18-2)7-5-11/h4-8,10H,3,9H2,1-2H3
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DifenzoquatCas Number: 49866-87-7 Compound CID: 39425Formula: C17H17N2 Molecular Weight: 249.33IUPAC Name: 1,2-dimethyl-3,5-diphenylpyrazol-1-iumSMILES: CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3InChIKey: LBGPXIPGGRQBJW-UHFFFAOYSA-NInChI: InChI=1S/C17H17N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13H,1-2H3/q+1
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Benzenamine， 3-(1H-imidazol-2-yl)-Cas Number: 161887-05-4Formula: C9H9N3 Molecular Weight: 159.1879SMILES: C1=CC(=CC(=C1)N)C2=NC=CN2InChIKey: ICYYPKINHSREND-UHFFFAOYSA-NInChI: InChI=1S/C9H9N3/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-6H,10H2,(H,11,12)
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6，7-Dihydro-5H-pyrrolo[1，2-a]imidazol-6-olCas Number: 1378606-06-4 Compound CID: 67356950Formula: C6H8N2O Molecular Weight: 124.14IUPAC Name: 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-olSMILES: C1C(CN2C1=NC=C2)OInChIKey: OLXNUSXUUWAEGE-UHFFFAOYSA-NInChI: InChI=1S/C6H8N2O/c9-5-3-6-7-1-2-8(6)4-5/h1-2,5,9H,3-4H2
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5-tert-Butyl 7-ethyl 6，7-dihydro-1H-pyrazolo[4，3-c]pyridine-5，7(4H)-dicarboxylateCas Number: 1000994-24-0 Compound CID: 59430425Formula: C14H21N3O4 Molecular Weight: 295.33IUPAC Name: 5-O-tert-butyl 7-O-ethyl 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5,7-dicarboxylateSMILES: CCOC(=O)C1CN(CC2=C1NN=C2)C(=O)OC(C)(C)CInChIKey: NDPZNTWXVIAYLR-UHFFFAOYSA-NInChI: InChI=1S/C14H21N3O4/c1-5-20-12(18)10-8-17(13(19)21-14(2,3)4)7-9-6-15-16-11(9)10/h6,10H,5,7-8H2,1-4H3,(H,15,16)
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5，5'-dithiodi-1，3，4-thiadiazole-2(3H)-thioneCas Number: 72676-55-2Formula: C4H2N4S6 Molecular Weight: 298.48SMILES: C1(=S)NN=C(S1)SSC2=NNC(=S)S2InChIKey: DJCISYVIXPWVHY-UHFFFAOYSA-NInChI: InChI=1S/C4H2N4S6/c9-1-5-7-3(11-1)13-14-4-8-6-2(10)12-4/h(H,5,9)(H,6,10)
