1-benzofuran;1,3-benzothiazole;3H-1,3-benzothiazol-2-one;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinolin-2-one;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[3,4-b]pyrazine);1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine

C236H315N67O7S3 — CID 157193808

IUPAC1-benzofuran;1,3-benzothiazole;3H-1,3-benzothiazol-2-one;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinolin-2-one;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[3,4-b]pyrazine);1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1CCc2ccccc2N1.O=C1Cc2ccccc2N1.O=c1[nH]c2ccccc2o1.O=c1[nH]c2ccccc2s1.c1cc2[nH]ccc2cn1.c1cc2[nH]ncc2cn1.c1cc2cn[nH]c2cn1.c1cc2n[nH]nc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2n[nH]nc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ccc2n1.c1cnc2[nH]ncc2c1.c1cnc2[nH]ncc2n1.c1cnc2[nH]ncc2n1.c1cnc2cc[nH]c2c1.c1cnc2cn[nH]c2c1.c1cnc2n[nH]nc2c1.c1cnc2n[nH]nc2n1.c1ncc2cn[nH]c2n1.c1ncc2n[nH]nc2n1
InChIInChI=1S/C9H9NO.C8H7NO.C8H7N.C8H6O.C8H6S.6C7H6N2.C7H5NO2.C7H5NOS.C7H5NO.C7H5NS.6C6H5N3.5C5H4N4.2C4H3N5.28C2H6/c11-9-6-5-7-3-1-2-4-8(7)10-9;10-8-5-6-3-1-2-4-7(6)9-8;3*1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;2*9-7-8-5-3-1-2-4-6(5)10-7;2*1-2-4-7-6(3-1)8-5-9-7;1-2-7-3-5-4-8-9-6(1)5;1-2-7-4-6-5(1)3-8-9-6;1-2-8-6-5(1)7-3-4-9-6;1-2-5-6(7-3-1)4-8-9-5;1-2-5-4-8-9-6(5)7-3-1;1-2-4-6-5(3-1)7-9-8-6;1-4-2-8-9-5(4)7-3-6-1;2*1-2-7-5-4(6-1)3-8-9-5;1-2-6-3-5-4(1)7-9-8-5;1-2-4-5(6-3-1)8-9-7-4;1-3-4(6-2-5-1)8-9-7-3;1-2-6-4-3(5-1)7-9-8-4;28*1-2/h1-4H,5-6H2,(H,10,11);1-4H,5H2,(H,9,10);1-6,9H;2*1-6H;2*1-5,9H;1-5H,(H,8,9);2*1-6H;1-5H,(H,8,9);2*1-4H,(H,8,9);2*1-5H;4*1-4H,(H,8,9);2*1-4H,(H,7,8,9);1-3H,(H,6,7,8,9);3*1-3H,(H,7,8,9);1-3H,(H,6,7,8,9);2*1-2H,(H,5,6,7,8,9);28*1-2H3
InChIKeyAPZURCFVYNPDPD-UHFFFAOYSA-N
MW4298.78 g/mol
LogP61.75
Rot. Bonds

About 1-benzofuran;1,3-benzothiazole;3H-1,3-benzothiazol-2-one;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinolin-2-one;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[3,4-b]pyrazine);1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine

1-benzofuran;1,3-benzothiazole;3H-1,3-benzothiazol-2-one;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinolin-2-one;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[3,4-b]pyrazine);1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine (PubChem CID 157193808) has the molecular formula C236H315N67O7S3 and a molecular weight of 4298.78 g/mol. Its IUPAC name is 1-benzofuran;1,3-benzothiazole;3H-1,3-benzothiazol-2-one;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinolin-2-one;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[3,4-b]pyrazine);1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name1-benzofuran;1,3-benzothiazole;3H-1,3-benzothiazol-2-one;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinolin-2-one;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[3,4-b]pyrazine);1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine
PubChem CID157193808
Molecular FormulaC236H315N67O7S3
Molecular Weight4298.78 g/mol
Exact Mass4295.55
IUPAC Name1-benzofuran;1,3-benzothiazole;3H-1,3-benzothiazol-2-one;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinolin-2-one;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[3,4-b]pyrazine);1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1CCc2ccccc2N1.O=C1Cc2ccccc2N1.O=c1[nH]c2ccccc2o1.O=c1[nH]c2ccccc2s1.c1cc2[nH]ccc2cn1.c1cc2[nH]ncc2cn1.c1cc2cn[nH]c2cn1.c1cc2n[nH]nc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2n[nH]nc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ccc2n1.c1cnc2[nH]ncc2c1.c1cnc2[nH]ncc2n1.c1cnc2[nH]ncc2n1.c1cnc2cc[nH]c2c1.c1cnc2cn[nH]c2c1.c1cnc2n[nH]nc2c1.c1cnc2n[nH]nc2n1.c1ncc2cn[nH]c2n1.c1ncc2n[nH]nc2n1
InChIInChI=1S/C9H9NO.C8H7NO.C8H7N.C8H6O.C8H6S.6C7H6N2.C7H5NO2.C7H5NOS.C7H5NO.C7H5NS.6C6H5N3.5C5H4N4.2C4H3N5.28C2H6/c11-9-6-5-7-3-1-2-4-8(7)10-9;10-8-5-6-3-1-2-4-7(6)9-8;3*1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;2*9-7-8-5-3-1-2-4-6(5)10-7;2*1-2-4-7-6(3-1)8-5-9-7;1-2-7-3-5-4-8-9-6(1)5;1-2-7-4-6-5(1)3-8-9-6;1-2-8-6-5(1)7-3-4-9-6;1-2-5-6(7-3-1)4-8-9-5;1-2-5-4-8-9-6(5)7-3-1;1-2-4-6-5(3-1)7-9-8-6;1-4-2-8-9-5(4)7-3-6-1;2*1-2-7-5-4(6-1)3-8-9-5;1-2-6-3-5-4(1)7-9-8-5;1-2-4-5(6-3-1)8-9-7-4;1-3-4(6-2-5-1)8-9-7-3;1-2-6-4-3(5-1)7-9-8-4;28*1-2/h1-4H,5-6H2,(H,10,11);1-4H,5H2,(H,9,10);1-6,9H;2*1-6H;2*1-5,9H;1-5H,(H,8,9);2*1-6H;1-5H,(H,8,9);2*1-4H,(H,8,9);2*1-5H;4*1-4H,(H,8,9);2*1-4H,(H,7,8,9);1-3H,(H,6,7,8,9);3*1-3H,(H,7,8,9);1-3H,(H,6,7,8,9);2*1-2H,(H,5,6,7,8,9);28*1-2H3
InChIKeyAPZURCFVYNPDPD-UHFFFAOYSA-N
XLogP61.75
TPSA1010.65 Ų
H-Bond Donors22
H-Bond Acceptors55
Rotatable Bonds
Heavy Atoms313
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004298.78
LogP ≤ 561.75
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1055

Analyze 1-benzofuran;1,3-benzothiazole;3H-1,3-benzothiazol-2-one;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinolin-2-one;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[3,4-b]pyrazine);1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-2-methyl-1,3-thiazole;2,2-difluoro-5-methyl-1,3-benzodioxole;1,2-dimethylbenzimidazole;2-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-5-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-methyl-4-phenyl-1,3-oxazole;2-methyl-5-phenyl-1,3-oxazole;5-methyl-1-phenyltetrazole;2-methyl-4-phenyl-1,3-thiazole;2-methyl-5-phenyl-1,3-thiazole;4-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)methyl]morpholine;5-methyl-3-phenyl-1H-1,2,4-triazole;2-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazole;2-methyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole;2-methyl-1,3-thiazole;4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine;4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 157257748
benzene;1,3-benzodioxole;1,3-benzothiazole;1-benzothiophene;1,2,4-benzotriazine;cinnoline;cyclopenta-1,3-diene;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);1-methoxy-4-methylbenzene;1-methylimidazole;1-methylindole;bis(1-methylpiperidine);5-methylpyrimidine;morpholine;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;piperidine;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;[1,3]thiazolo[4,5-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine
CID 157327103
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
benzene;1,3-benzodioxole;tris(1-benzothiophene);bis(cyclopenta-1,3-diene);2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;ethane;furan;bis(1H-indole);methane;1-methylimidazole;1-methylindole;oxane;1,3-oxazole;[1,3]oxazolo[4,5-c]pyridine;phenol;phenylmethanol;bis(piperidine);pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;thiane;1,3-thiazole;[1,3]thiazolo[5,4-b]pyridine;thieno[3,2-c]pyridine;1,2,4-triazine;1,3,5-triazine
CID 157505301
benzene-1,2-dicarbonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;1,2-bis(trifluoromethyl)benzene;5H-cyclopenta[c]pyridine;3H-indazole;isoindole-1,3-dione;4H-naphthalen-1-one;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2-phenyl-1,3-benzoxazole;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;quinazoline;1,2,3-tris(trifluoromethyl)benzene
CID 157751392
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
2-tert-butylbenzonitrile;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylimidazole;2-tert-butyl-3H-indole;3-tert-butylisoquinoline;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;3-(2,2-dimethylpropyl)-1,1-difluorocyclobutane;4-(2,2-dimethylpropyl)oxane
CID 159544015
bis(1H-benzimidazole);1-benzofuran;1,3-benzothiazole;bis(1,3-benzoxazole);3-chloro-5-methylpyridine;3-chloropyridine;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;3-(1,1-difluoroethyl)pyridine;2,3-difluoropyridine;2,6-dimethoxypyridine;N,N-dimethylpyrimidin-2-amine;N-ethynyl-2-pyridin-4-ylethanamine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-b]pyridine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;2H-indene;bis(1H-indole);2-piperidin-1-ylpyridine;3-piperidin-1-ylpyridine;pyrazine;bis(pyridine);pyrimidine;2-pyrrolidin-1-yl-1,3-thiazole;1H-pyrrolo[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine;4-(trifluoromethyl)pyridine
CID 159672532
1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;2,2-difluoro-1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;1H-indazole;1H-indole;quinazoline;quinoline;quinoxaline;2,2,3,3-tetrafluoro-1,4-benzodioxine
CID 160229436
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 160409071

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1,3-benzothiazole;3H-1,3-benzothiazol-2-one;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinolin-2-one;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[3,4-b]pyrazine);1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine?
The IUPAC name of 1-benzofuran;1,3-benzothiazole;3H-1,3-benzothiazol-2-one;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinolin-2-one;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[3,4-b]pyrazine);1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine (CID 157193808) is 1-benzofuran;1,3-benzothiazole;3H-1,3-benzothiazol-2-one;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinolin-2-one;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[3,4-b]pyrazine);1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine.
What is the SMILES notation for 1-benzofuran;1,3-benzothiazole;3H-1,3-benzothiazol-2-one;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinolin-2-one;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[3,4-b]pyrazine);1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine?
The canonical SMILES for 1-benzofuran;1,3-benzothiazole;3H-1,3-benzothiazol-2-one;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinolin-2-one;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[3,4-b]pyrazine);1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1CCc2ccccc2N1.O=C1Cc2ccccc2N1.O=c1[nH]c2ccccc2o1.O=c1[nH]c2ccccc2s1.c1cc2[nH]ccc2cn1.c1cc2[nH]ncc2cn1.c1cc2cn[nH]c2cn1.c1cc2n[nH]nc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2n[nH]nc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ccc2n1.c1cnc2[nH]ncc2c1.c1cnc2[nH]ncc2n1.c1cnc2[nH]ncc2n1.c1cnc2cc[nH]c2c1.c1cnc2cn[nH]c2c1.c1cnc2n[nH]nc2c1.c1cnc2n[nH]nc2n1.c1ncc2cn[nH]c2n1.c1ncc2n[nH]nc2n1.
What is the InChIKey of 1-benzofuran;1,3-benzothiazole;3H-1,3-benzothiazol-2-one;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinolin-2-one;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[3,4-b]pyrazine);1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine?
The InChIKey is APZURCFVYNPDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.C8H7NO.C8H7N.C8H6O.C8H6S.6C7H6N2.C7H5NO2.C7H5NOS.C7H5NO.C7H5NS.6C6H5N3.5C5H4N4.2C4H3N5.28C2H6/c11-9-6-5-7-3-1-2-4-8(7)10-9;10-8-5-6-3-1-2-4-7(6)9-8;3*1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;2*9-7-8-5-3-1-2-4-6(5)10-7;2*1-2-4-7-6(3-1)8-5-9-7;1-2-7-3-5-4-8-9-6(1)5;1-2-7-4-6-5(1)3-8-9-6;1-2-8-6-5(1)7-3-4-9-6;1-2-5-6(7-3-1)4-8-9-5;1-2-5-4-8-9-6(5)7-3-1;1-2-4-6-5(3-1)7-9-8-6;1-4-2-8-9-5(4)7-3-6-1;2*1-2-7-5-4(6-1)3-8-9-5;1-2-6-3-5-4(1)7-9-8-5;1-2-4-5(6-3-1)8-9-7-4;1-3-4(6-2-5-1)8-9-7-3;1-2-6-4-3(5-1)7-9-8-4;28*1-2/h1-4H,5-6H2,(H,10,11);1-4H,5H2,(H,9,10);1-6,9H;2*1-6H;2*1-5,9H;1-5H,(H,8,9);2*1-6H;1-5H,(H,8,9);2*1-4H,(H,8,9);2*1-5H;4*1-4H,(H,8,9);2*1-4H,(H,7,8,9);1-3H,(H,6,7,8,9);3*1-3H,(H,7,8,9);1-3H,(H,6,7,8,9);2*1-2H,(H,5,6,7,8,9);28*1-2H3.
What are the key properties of 1-benzofuran;1,3-benzothiazole;3H-1,3-benzothiazol-2-one;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinolin-2-one;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[3,4-b]pyrazine);1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine?
1-benzofuran;1,3-benzothiazole;3H-1,3-benzothiazol-2-one;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinolin-2-one;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[3,4-b]pyrazine);1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine has a molecular weight of 4298.78 g/mol, XLogP of 61.75, 0 rotatable bonds, 22 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;1,3-benzothiazole;3H-1,3-benzothiazol-2-one;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;1,3-dihydroindol-2-one;3,4-dihydro-1H-quinolin-2-one;ethane;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[3,4-b]pyrazine);1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrazolo[4,5-c]pyridine;1H-pyrazolo[5,4-c]pyridine;1H-pyrazolo[3,4-d]pyrimidine;5H-pyrrolo[2,3-b]pyrazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-triazolo[4,5-b]pyrazine;2H-triazolo[4,5-b]pyridine;2H-triazolo[4,5-c]pyridine;2H-triazolo[4,5-d]pyrimidine is sourced from PubChem (CID 157193808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).