benzene;1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1H-indole;naphthalene;1,8-naphthyridine;1,3-oxazole;7H-purine;bis(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3-thiazole;thiophene

C110H98N24O2S3 — CID 158561075

IUPACbenzene;1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1H-indole;naphthalene;1,8-naphthyridine;1,3-oxazole;7H-purine;bis(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3-thiazole;thiophene
SMILESc1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccsc1.c1cnc2ncccc2c1.c1cncnc1.c1cocn1.c1cscn1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C10H8.C9H7N.2C8H6N2.C8H7N.C7H6N2.C7H5NO.C7H5NS.C6H6.C5H4N4.2C5H5N.C4H4N2.2C4H5N.C4H4S.C3H4N2.C3H3NO.C3H3NS/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-4-5(8-2-6-1)9-3-7-4;2*1-2-4-6-5-3-1;1-2-5-4-6-3-1;3*1-2-4-5-3-1;3*1-2-5-3-4-1/h1-8H;1-7H;2*1-6H;1-6,9H;1-5H,(H,8,9);2*1-5H;1-6H;1-3H,(H,6,7,8,9);2*1-5H;1-4H;2*1-5H;1-4H;1-3H,(H,4,5);2*1-3H
InChIKeyHQWVHJSYHHFRBK-UHFFFAOYSA-N
MW1884.36 g/mol
LogP26.87
Rot. Bonds

About benzene;1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1H-indole;naphthalene;1,8-naphthyridine;1,3-oxazole;7H-purine;bis(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3-thiazole;thiophene

benzene;1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1H-indole;naphthalene;1,8-naphthyridine;1,3-oxazole;7H-purine;bis(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3-thiazole;thiophene (PubChem CID 158561075) has the molecular formula C110H98N24O2S3 and a molecular weight of 1884.36 g/mol. Its IUPAC name is benzene;1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1H-indole;naphthalene;1,8-naphthyridine;1,3-oxazole;7H-purine;bis(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3-thiazole;thiophene.

Molecular Properties

Compound Namebenzene;1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1H-indole;naphthalene;1,8-naphthyridine;1,3-oxazole;7H-purine;bis(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3-thiazole;thiophene
PubChem CID158561075
Molecular FormulaC110H98N24O2S3
Molecular Weight1884.36 g/mol
Exact Mass1882.75
IUPAC Namebenzene;1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1H-indole;naphthalene;1,8-naphthyridine;1,3-oxazole;7H-purine;bis(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3-thiazole;thiophene
SMILESc1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccsc1.c1cnc2ncccc2c1.c1cncnc1.c1cocn1.c1cscn1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C10H8.C9H7N.2C8H6N2.C8H7N.C7H6N2.C7H5NO.C7H5NS.C6H6.C5H4N4.2C5H5N.C4H4N2.2C4H5N.C4H4S.C3H4N2.C3H3NO.C3H3NS/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-4-5(8-2-6-1)9-3-7-4;2*1-2-4-6-5-3-1;1-2-5-4-6-3-1;3*1-2-4-5-3-1;3*1-2-5-3-4-1/h1-8H;1-7H;2*1-6H;1-6,9H;1-5H,(H,8,9);2*1-5H;1-6H;1-3H,(H,6,7,8,9);2*1-5H;1-4H;2*1-5H;1-4H;1-3H,(H,4,5);2*1-3H
InChIKeyHQWVHJSYHHFRBK-UHFFFAOYSA-N
XLogP26.87
TPSA353.04 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001884.36
LogP ≤ 526.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze benzene;1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1H-indole;naphthalene;1,8-naphthyridine;1,3-oxazole;7H-purine;bis(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3-thiazole;thiophene with MolForge

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Related Compounds

5-(7-Fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-[2-[4-[6-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]morpholin-2-yl]morpholin-4-yl]-1,3-benzoxazole
CID 146601354
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-1,2-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
6-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;6-fluoro-N-[2-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-amine;1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole;N-[2-(4-naphthalen-2-ylpiperazin-1-yl)ethyl]-1,3-benzothiazol-2-amine;N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-amine
CID 157832980
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158306259
benzaldehyde;benzonitrile;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;2-(1,1-difluoroethyl)-1,3-bis(trifluoromethyl)benzene;3H-indole;4-methylidenecyclopent-2-en-1-one;4H-naphthalen-1-one;1,6-naphthyridine;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-phenyl-1,3-benzoxazole;2-pyridin-2-ylpyridine;quinoline
CID 158538440
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
CID 160156765
CID 160156765
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
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291

Frequently Asked Questions

What is the IUPAC name of benzene;1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1H-indole;naphthalene;1,8-naphthyridine;1,3-oxazole;7H-purine;bis(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3-thiazole;thiophene?
The IUPAC name of benzene;1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1H-indole;naphthalene;1,8-naphthyridine;1,3-oxazole;7H-purine;bis(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3-thiazole;thiophene (CID 158561075) is benzene;1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1H-indole;naphthalene;1,8-naphthyridine;1,3-oxazole;7H-purine;bis(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3-thiazole;thiophene.
What is the SMILES notation for benzene;1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1H-indole;naphthalene;1,8-naphthyridine;1,3-oxazole;7H-purine;bis(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3-thiazole;thiophene?
The canonical SMILES for benzene;1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1H-indole;naphthalene;1,8-naphthyridine;1,3-oxazole;7H-purine;bis(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3-thiazole;thiophene is c1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccsc1.c1cnc2ncccc2c1.c1cncnc1.c1cocn1.c1cscn1.c1ncc2[nH]cnc2n1.
What is the InChIKey of benzene;1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1H-indole;naphthalene;1,8-naphthyridine;1,3-oxazole;7H-purine;bis(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3-thiazole;thiophene?
The InChIKey is HQWVHJSYHHFRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C9H7N.2C8H6N2.C8H7N.C7H6N2.C7H5NO.C7H5NS.C6H6.C5H4N4.2C5H5N.C4H4N2.2C4H5N.C4H4S.C3H4N2.C3H3NO.C3H3NS/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-4-5(8-2-6-1)9-3-7-4;2*1-2-4-6-5-3-1;1-2-5-4-6-3-1;3*1-2-4-5-3-1;3*1-2-5-3-4-1/h1-8H;1-7H;2*1-6H;1-6,9H;1-5H,(H,8,9);2*1-5H;1-6H;1-3H,(H,6,7,8,9);2*1-5H;1-4H;2*1-5H;1-4H;1-3H,(H,4,5);2*1-3H.
What are the key properties of benzene;1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1H-indole;naphthalene;1,8-naphthyridine;1,3-oxazole;7H-purine;bis(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3-thiazole;thiophene?
benzene;1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1H-indole;naphthalene;1,8-naphthyridine;1,3-oxazole;7H-purine;bis(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3-thiazole;thiophene has a molecular weight of 1884.36 g/mol, XLogP of 26.87, 0 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;1H-imidazole;1H-indole;naphthalene;1,8-naphthyridine;1,3-oxazole;7H-purine;bis(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3-thiazole;thiophene is sourced from PubChem (CID 158561075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).