1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;furan;2H-imidazole;4H-imidazole;1H-indene;3H-indole;isoquinoline;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;3H-1,2,4-triazole

C172H153N37O5S7 — CID 157181127

IUPAC1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;furan;2H-imidazole;4H-imidazole;1H-indene;3H-indole;isoquinoline;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;3H-1,2,4-triazole
SMILESC1=CCC=C1.C1=CCN=C1.C1=CN=CC1.C1=Cc2ccccc2C1.C1=Cc2cccnc2C1.C1=NC=NC1.C1=NCN=C1.C1=NCN=N1.C1=Nc2ccccc2C1.c1cc2sccc2s1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cnc2cccnc2c1.c1cnc2ncccc2c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncncn1
InChIInChI=1S/2C9H7N.C9H8.4C8H6N2.2C8H7N.C8H6O.C8H6S.C7H5NO.C7H5NS.C6H4S2.C5H5N.C5H6.3C4H4N2.2C4H5N.C4H4O.C4H4S.C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.C2H3N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-3-7-4-2-6-9-8(7)5-1;3*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;1-3-7-6-2-4-8-5(1)6;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;1-4-2-6-3-5-1;3*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1/h2*1-7H;1-6H,7H2;4*1-6H;2*1-4,6H,5H2;2*1-6H;2*1-5H;1-4H;1-5H;1-4H,5H2;3*1-4H;1,3-4H,2H2;1-3H,4H2;2*1-4H;1-3H;1,3H,2H2;1-2H,3H2;4*1-3H;1H,2H2
InChIKeyAOORZGJUYRYSQG-UHFFFAOYSA-N
MW3042.84 g/mol
LogP42.05
Rot. Bonds

About 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;furan;2H-imidazole;4H-imidazole;1H-indene;3H-indole;isoquinoline;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;3H-1,2,4-triazole

1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;furan;2H-imidazole;4H-imidazole;1H-indene;3H-indole;isoquinoline;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;3H-1,2,4-triazole (PubChem CID 157181127) has the molecular formula C172H153N37O5S7 and a molecular weight of 3042.84 g/mol. Its IUPAC name is 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;furan;2H-imidazole;4H-imidazole;1H-indene;3H-indole;isoquinoline;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;3H-1,2,4-triazole.

Molecular Properties

Compound Name1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;furan;2H-imidazole;4H-imidazole;1H-indene;3H-indole;isoquinoline;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;3H-1,2,4-triazole
PubChem CID157181127
Molecular FormulaC172H153N37O5S7
Molecular Weight3042.84 g/mol
Exact Mass3040.09
IUPAC Name1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;furan;2H-imidazole;4H-imidazole;1H-indene;3H-indole;isoquinoline;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;3H-1,2,4-triazole
SMILESC1=CCC=C1.C1=CCN=C1.C1=CN=CC1.C1=Cc2ccccc2C1.C1=Cc2cccnc2C1.C1=NC=NC1.C1=NCN=C1.C1=NCN=N1.C1=Nc2ccccc2C1.c1cc2sccc2s1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cnc2cccnc2c1.c1cnc2ncccc2c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncncn1
InChIInChI=1S/2C9H7N.C9H8.4C8H6N2.2C8H7N.C8H6O.C8H6S.C7H5NO.C7H5NS.C6H4S2.C5H5N.C5H6.3C4H4N2.2C4H5N.C4H4O.C4H4S.C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.C2H3N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-3-7-4-2-6-9-8(7)5-1;3*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;1-3-7-6-2-4-8-5(1)6;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;1-4-2-6-3-5-1;3*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1/h2*1-7H;1-6H,7H2;4*1-6H;2*1-4,6H,5H2;2*1-6H;2*1-5H;1-4H;1-5H;1-4H,5H2;3*1-4H;1,3-4H,2H2;1-3H,4H2;2*1-4H;1-3H;1,3H,2H2;1-2H,3H2;4*1-3H;1H,2H2
InChIKeyAOORZGJUYRYSQG-UHFFFAOYSA-N
XLogP42.05
TPSA537.33 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003042.84
LogP ≤ 542.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Analyze 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;furan;2H-imidazole;4H-imidazole;1H-indene;3H-indole;isoquinoline;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;3H-1,2,4-triazole with MolForge

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Related Compounds

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
3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydro-1H-indene;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole;undecakis(2-methylpropane);2-propan-2-yl-3,4-dihydro-1H-isoquinoline;6-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine;1-propan-2-yl-2,3-dihydropyrrolo[3,2-b]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydroquinoline
CID 157959856
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
1,2-Dimethylbenzimidazole;3,6-dimethylimidazo[4,5-b]pyridine;bis(2,5-dimethylpyridine);1,4-dimethylpyridin-2-one;ethane;2-(2-fluorophenyl)-4-methyl-1,3-thiazole;1-(3-isocyano-2-methylphenyl)ethanone;1-methylbenzimidazole;6-methylfuro[3,2-b]pyridine;1-methylindole;methyl 5-methylpyridine-2-carboxylate;2-methyl-1-phenylbenzimidazole;pentakis(2-methylpyrazine);6-methylpyrazolo[1,5-a]pyridine;2-methylpyridine;tris(3-methylpyridine);2-methylquinoline;5-methyl-2-(trifluoromethyl)pyridine;toluene
CID 158253580
2,5-Dimethyl-1,3-benzothiazole;1-methoxy-4-methylbenzene;5-methyl-1,3-benzothiazole;3-methyl-1-benzothiophene;5-methyl-2,1,3-benzoxadiazole;2-methyl-1,3-benzoxazole;3-methyl-5-phenyl-1,2,4-oxadiazole;2-methylpyrazine;2-methylpyrimidine;2-methyl-[1,3]thiazolo[5,4-b]pyridine;2-methyl-4-thiophen-2-ylpyrimidine;2-methyl-5-(trifluoromethyl)pyridine
CID 158298930
CID 158592718
CID 158592718
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
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
CID 160438083
CID 160438083
2-(1-benzothiophen-2-yl)pyridine;2-[3,5-bis(trifluoromethyl)phenyl]pyridine;2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorophenyl)-4-methoxypyridine;2-(2,4-difluorophenyl)pyridine;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160694799
1-Fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzimidazole;1-phenyl-2-propan-2-ylbenzimidazole;4-phenyl-2-propan-2-ylquinoline;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-ylfuran;1-propan-2-ylisoquinoline;2-propan-2-yl-1,10-phenanthroline;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-ylthiophene;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
CID 160856179
10H-benzo[h]quinolin-10-ide;3-(1,3-benzothiazol-2-yl)-4H-chromen-4-id-2-one;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;2-(4-fluorobenzene-6-id-1-yl)-5-methylpyridine;2-(3H-furan-3-id-2-yl)-1,3-benzothiazole;12H-phenanthro[9,10-b]pyridin-12-ide;2-phenyl-1H-benzimidazole;2-phenyl-1,3-benzoxazole;2-phenyl-1H-imidazole;1-phenylisoquinoline;2-phenyl-1,3-oxazole;2-phenylpyridine;2-phenylquinoline;2-phenyl-1,3-thiazole;2-(3H-thiophen-3-id-2-yl)-1,3-benzothiazole
CID 160998536

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;furan;2H-imidazole;4H-imidazole;1H-indene;3H-indole;isoquinoline;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;3H-1,2,4-triazole?
The IUPAC name of 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;furan;2H-imidazole;4H-imidazole;1H-indene;3H-indole;isoquinoline;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;3H-1,2,4-triazole (CID 157181127) is 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;furan;2H-imidazole;4H-imidazole;1H-indene;3H-indole;isoquinoline;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;3H-1,2,4-triazole.
What is the SMILES notation for 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;furan;2H-imidazole;4H-imidazole;1H-indene;3H-indole;isoquinoline;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;3H-1,2,4-triazole?
The canonical SMILES for 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;furan;2H-imidazole;4H-imidazole;1H-indene;3H-indole;isoquinoline;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;3H-1,2,4-triazole is C1=CCC=C1.C1=CCN=C1.C1=CN=CC1.C1=Cc2ccccc2C1.C1=Cc2cccnc2C1.C1=NC=NC1.C1=NCN=C1.C1=NCN=N1.C1=Nc2ccccc2C1.c1cc2sccc2s1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cnc2cccnc2c1.c1cnc2ncccc2c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1ncncn1.
What is the InChIKey of 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;furan;2H-imidazole;4H-imidazole;1H-indene;3H-indole;isoquinoline;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;3H-1,2,4-triazole?
The InChIKey is AOORZGJUYRYSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N.C9H8.4C8H6N2.2C8H7N.C8H6O.C8H6S.C7H5NO.C7H5NS.C6H4S2.C5H5N.C5H6.3C4H4N2.2C4H5N.C4H4O.C4H4S.C3H3N3.2C3H4N2.2C3H3NO.2C3H3NS.C2H3N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-3-7-4-2-6-9-8(7)5-1;3*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;1-3-7-6-2-4-8-5(1)6;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;4*1-2-4-5-3-1;1-4-2-6-3-5-1;3*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-2-5-4-1/h2*1-7H;1-6H,7H2;4*1-6H;2*1-4,6H,5H2;2*1-6H;2*1-5H;1-4H;1-5H;1-4H,5H2;3*1-4H;1,3-4H,2H2;1-3H,4H2;2*1-4H;1-3H;1,3H,2H2;1-2H,3H2;4*1-3H;1H,2H2.
What are the key properties of 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;furan;2H-imidazole;4H-imidazole;1H-indene;3H-indole;isoquinoline;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;3H-1,2,4-triazole?
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;furan;2H-imidazole;4H-imidazole;1H-indene;3H-indole;isoquinoline;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;3H-1,2,4-triazole has a molecular weight of 3042.84 g/mol, XLogP of 42.05, 0 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;7H-cyclopenta[b]pyridine;cyclopenta-1,3-diene;furan;2H-imidazole;4H-imidazole;1H-indene;3H-indole;isoquinoline;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;1,3,5-triazine;3H-1,2,4-triazole is sourced from PubChem (CID 157181127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).