2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methylnaphthalene;2-methyl-1-phenylindole;bis(2-methyl-5-phenylpyrimidine);5-methyl-2-phenylpyrimidine;2-methylpyridine;3-methylpyridine;5-methyl-2-pyridin-4-ylpyrimidine;2-methylpyrimidine;1-methylpyrrolo[2,3-b]pyridine;6-methylquinoline;2-methyl-1,3,5-triazine;toluene

C131H126N22OS — CID 157075084

IUPAC2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methylnaphthalene;2-methyl-1-phenylindole;bis(2-methyl-5-phenylpyrimidine);5-methyl-2-phenylpyrimidine;2-methylpyridine;3-methylpyridine;5-methyl-2-pyridin-4-ylpyrimidine;2-methylpyrimidine;1-methylpyrrolo[2,3-b]pyridine;6-methylquinoline;2-methyl-1,3,5-triazine;toluene
SMILESCc1cc2ccccc2n1-c1ccccc1.Cc1ccc2ncccc2c1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cnc(-c2ccccc2)nc1.Cc1cnc(-c2ccncc2)nc1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc(-c2ccccc2)cn1.Cc1ncc(-c2ccccc2)cn1.Cc1ncccn1.Cc1ncncn1.Cn1ccc2cccnc21
InChIInChI=1S/C15H13N.3C11H10N2.C11H10.C10H9N3.C10H9N.C8H8N2.C8H7NO.C8H7NS.C7H8.2C6H7N.C5H6N2.C4H5N3/c1-12-11-13-7-5-6-10-15(13)16(12)14-8-3-2-4-9-14;2*1-9-12-7-11(8-13-9)10-5-3-2-4-6-10;1-9-7-12-11(13-8-9)10-5-3-2-4-6-10;1-9-5-4-7-10-6-2-3-8-11(9)10;1-8-6-12-10(13-7-8)9-2-4-11-5-3-9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-10-6-4-7-3-2-5-9-8(7)10;2*1-6-9-7-4-2-3-5-8(7)10-6;1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5;1-4-6-2-5-3-7-4/h2-11H,1H3;3*2-8H,1H3;2-8H,1H3;2-7H,1H3;2-7H,1H3;2-6H,1H3;2*2-5H,1H3;2-6H,1H3;2*2-5H,1H3;2-4H,1H3;2-3H,1H3
InChIKeyACWMISWGGJRQBK-UHFFFAOYSA-N
MW2056.67 g/mol
LogP30.89
Rot. Bonds5

About 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methylnaphthalene;2-methyl-1-phenylindole;bis(2-methyl-5-phenylpyrimidine);5-methyl-2-phenylpyrimidine;2-methylpyridine;3-methylpyridine;5-methyl-2-pyridin-4-ylpyrimidine;2-methylpyrimidine;1-methylpyrrolo[2,3-b]pyridine;6-methylquinoline;2-methyl-1,3,5-triazine;toluene

2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methylnaphthalene;2-methyl-1-phenylindole;bis(2-methyl-5-phenylpyrimidine);5-methyl-2-phenylpyrimidine;2-methylpyridine;3-methylpyridine;5-methyl-2-pyridin-4-ylpyrimidine;2-methylpyrimidine;1-methylpyrrolo[2,3-b]pyridine;6-methylquinoline;2-methyl-1,3,5-triazine;toluene (PubChem CID 157075084) has the molecular formula C131H126N22OS and a molecular weight of 2056.67 g/mol. Its IUPAC name is 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methylnaphthalene;2-methyl-1-phenylindole;bis(2-methyl-5-phenylpyrimidine);5-methyl-2-phenylpyrimidine;2-methylpyridine;3-methylpyridine;5-methyl-2-pyridin-4-ylpyrimidine;2-methylpyrimidine;1-methylpyrrolo[2,3-b]pyridine;6-methylquinoline;2-methyl-1,3,5-triazine;toluene.

Molecular Properties

Compound Name2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methylnaphthalene;2-methyl-1-phenylindole;bis(2-methyl-5-phenylpyrimidine);5-methyl-2-phenylpyrimidine;2-methylpyridine;3-methylpyridine;5-methyl-2-pyridin-4-ylpyrimidine;2-methylpyrimidine;1-methylpyrrolo[2,3-b]pyridine;6-methylquinoline;2-methyl-1,3,5-triazine;toluene
PubChem CID157075084
Molecular FormulaC131H126N22OS
Molecular Weight2056.67 g/mol
Exact Mass2055.02
IUPAC Name2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methylnaphthalene;2-methyl-1-phenylindole;bis(2-methyl-5-phenylpyrimidine);5-methyl-2-phenylpyrimidine;2-methylpyridine;3-methylpyridine;5-methyl-2-pyridin-4-ylpyrimidine;2-methylpyrimidine;1-methylpyrrolo[2,3-b]pyridine;6-methylquinoline;2-methyl-1,3,5-triazine;toluene
SMILESCc1cc2ccccc2n1-c1ccccc1.Cc1ccc2ncccc2c1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cnc(-c2ccccc2)nc1.Cc1cnc(-c2ccncc2)nc1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc(-c2ccccc2)cn1.Cc1ncc(-c2ccccc2)cn1.Cc1ncccn1.Cc1ncncn1.Cn1ccc2cccnc21
InChIInChI=1S/C15H13N.3C11H10N2.C11H10.C10H9N3.C10H9N.C8H8N2.C8H7NO.C8H7NS.C7H8.2C6H7N.C5H6N2.C4H5N3/c1-12-11-13-7-5-6-10-15(13)16(12)14-8-3-2-4-9-14;2*1-9-12-7-11(8-13-9)10-5-3-2-4-6-10;1-9-7-12-11(13-8-9)10-5-3-2-4-6-10;1-9-5-4-7-10-6-2-3-8-11(9)10;1-8-6-12-10(13-7-8)9-2-4-11-5-3-9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-10-6-4-7-3-2-5-9-8(7)10;2*1-6-9-7-4-2-3-5-8(7)10-6;1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5;1-4-6-2-5-3-7-4/h2-11H,1H3;3*2-8H,1H3;2-8H,1H3;2-7H,1H3;2-7H,1H3;2-6H,1H3;2*2-5H,1H3;2-6H,1H3;2*2-5H,1H3;2-4H,1H3;2-3H,1H3
InChIKeyACWMISWGGJRQBK-UHFFFAOYSA-N
XLogP30.89
TPSA280.80 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds5
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002056.67
LogP ≤ 530.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methylnaphthalene;2-methyl-1-phenylindole;bis(2-methyl-5-phenylpyrimidine);5-methyl-2-phenylpyrimidine;2-methylpyridine;3-methylpyridine;5-methyl-2-pyridin-4-ylpyrimidine;2-methylpyrimidine;1-methylpyrrolo[2,3-b]pyridine;6-methylquinoline;2-methyl-1,3,5-triazine;toluene with MolForge

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Related Compounds

1-Cyclohexyl-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;9-phenyl-4-propan-2-ylcarbazole;1-phenyl-2-(4-propan-2-ylphenyl)benzimidazole;4-propan-2-ylbenzonitrile;5-propan-2-yl-1,2-dihydroacenaphthylene;1-propan-2-ylisoquinoline;2-(4-propan-2-ylphenyl)-1,3-benzothiazole;2-(4-propan-2-ylphenyl)-1,3-benzoxazole;9-(4-propan-2-ylphenyl)carbazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;1-propan-2-yl-4-(trifluoromethyl)benzene;trimethyl-(4-propan-2-ylphenyl)silane;triphenyl-(4-propan-2-ylphenyl)silane
CID 157063515
12,12-Dimethyl-11-[3-(4,5,6-triphenylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzothiazole;2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]-1,3-benzoxazole;4,5,6-triphenyl-2-[4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-1-yl]phenyl]pyrimidine
CID 157288939
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
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;2-[3-(10b,10c-dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;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)-6-(trifluoromethyl)-1,3-benzoxazole
CID 157769145
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
2-[3-(10b,10c-Dihydropyren-4-yl)-5-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-[3-[5-(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]-1,3-benzothiazole;2-[3-[4-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 157966551
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
bis(5-chloro-2-methyl-1,3-benzoxazole);2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-3H-indole;1-fluoro-4-methylbenzene;bis(6-fluoro-2-methyl-1,3-benzothiazole);bis(6-fluoro-2-methyl-1,3-benzoxazole);2-methylnaphthalene;2-methyl-5-phenyl-1,3-benzoxazole;bis(2-methyl-5-pyridin-4-yl-2,3-dihydro-1,3-thiazole);2-methylsulfanyl-3H-pyrrolo[2,3-b]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine
CID 158417103
CID 158633368
CID 158633368
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;3-methylquinoline;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,2,2-trifluoro-1-(3-methylphenyl)ethanone
CID 158821818
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methylnaphthalene;2-methyl-1-phenylindole;bis(2-methyl-5-phenylpyrimidine);5-methyl-2-phenylpyrimidine;2-methylpyridine;3-methylpyridine;5-methyl-2-pyridin-4-ylpyrimidine;2-methylpyrimidine;1-methylpyrrolo[2,3-b]pyridine;6-methylquinoline;2-methyl-1,3,5-triazine;toluene?
The IUPAC name of 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methylnaphthalene;2-methyl-1-phenylindole;bis(2-methyl-5-phenylpyrimidine);5-methyl-2-phenylpyrimidine;2-methylpyridine;3-methylpyridine;5-methyl-2-pyridin-4-ylpyrimidine;2-methylpyrimidine;1-methylpyrrolo[2,3-b]pyridine;6-methylquinoline;2-methyl-1,3,5-triazine;toluene (CID 157075084) is 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methylnaphthalene;2-methyl-1-phenylindole;bis(2-methyl-5-phenylpyrimidine);5-methyl-2-phenylpyrimidine;2-methylpyridine;3-methylpyridine;5-methyl-2-pyridin-4-ylpyrimidine;2-methylpyrimidine;1-methylpyrrolo[2,3-b]pyridine;6-methylquinoline;2-methyl-1,3,5-triazine;toluene.
What is the SMILES notation for 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methylnaphthalene;2-methyl-1-phenylindole;bis(2-methyl-5-phenylpyrimidine);5-methyl-2-phenylpyrimidine;2-methylpyridine;3-methylpyridine;5-methyl-2-pyridin-4-ylpyrimidine;2-methylpyrimidine;1-methylpyrrolo[2,3-b]pyridine;6-methylquinoline;2-methyl-1,3,5-triazine;toluene?
The canonical SMILES for 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methylnaphthalene;2-methyl-1-phenylindole;bis(2-methyl-5-phenylpyrimidine);5-methyl-2-phenylpyrimidine;2-methylpyridine;3-methylpyridine;5-methyl-2-pyridin-4-ylpyrimidine;2-methylpyrimidine;1-methylpyrrolo[2,3-b]pyridine;6-methylquinoline;2-methyl-1,3,5-triazine;toluene is Cc1cc2ccccc2n1-c1ccccc1.Cc1ccc2ncccc2c1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cnc(-c2ccccc2)nc1.Cc1cnc(-c2ccncc2)nc1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1ncc(-c2ccccc2)cn1.Cc1ncc(-c2ccccc2)cn1.Cc1ncccn1.Cc1ncncn1.Cn1ccc2cccnc21.
What is the InChIKey of 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methylnaphthalene;2-methyl-1-phenylindole;bis(2-methyl-5-phenylpyrimidine);5-methyl-2-phenylpyrimidine;2-methylpyridine;3-methylpyridine;5-methyl-2-pyridin-4-ylpyrimidine;2-methylpyrimidine;1-methylpyrrolo[2,3-b]pyridine;6-methylquinoline;2-methyl-1,3,5-triazine;toluene?
The InChIKey is ACWMISWGGJRQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N.3C11H10N2.C11H10.C10H9N3.C10H9N.C8H8N2.C8H7NO.C8H7NS.C7H8.2C6H7N.C5H6N2.C4H5N3/c1-12-11-13-7-5-6-10-15(13)16(12)14-8-3-2-4-9-14;2*1-9-12-7-11(8-13-9)10-5-3-2-4-6-10;1-9-7-12-11(13-8-9)10-5-3-2-4-6-10;1-9-5-4-7-10-6-2-3-8-11(9)10;1-8-6-12-10(13-7-8)9-2-4-11-5-3-9;1-8-4-5-10-9(7-8)3-2-6-11-10;1-10-6-4-7-3-2-5-9-8(7)10;2*1-6-9-7-4-2-3-5-8(7)10-6;1-7-5-3-2-4-6-7;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5;1-4-6-2-5-3-7-4/h2-11H,1H3;3*2-8H,1H3;2-8H,1H3;2-7H,1H3;2-7H,1H3;2-6H,1H3;2*2-5H,1H3;2-6H,1H3;2*2-5H,1H3;2-4H,1H3;2-3H,1H3.
What are the key properties of 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methylnaphthalene;2-methyl-1-phenylindole;bis(2-methyl-5-phenylpyrimidine);5-methyl-2-phenylpyrimidine;2-methylpyridine;3-methylpyridine;5-methyl-2-pyridin-4-ylpyrimidine;2-methylpyrimidine;1-methylpyrrolo[2,3-b]pyridine;6-methylquinoline;2-methyl-1,3,5-triazine;toluene?
2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methylnaphthalene;2-methyl-1-phenylindole;bis(2-methyl-5-phenylpyrimidine);5-methyl-2-phenylpyrimidine;2-methylpyridine;3-methylpyridine;5-methyl-2-pyridin-4-ylpyrimidine;2-methylpyrimidine;1-methylpyrrolo[2,3-b]pyridine;6-methylquinoline;2-methyl-1,3,5-triazine;toluene has a molecular weight of 2056.67 g/mol, XLogP of 30.89, 5 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methylnaphthalene;2-methyl-1-phenylindole;bis(2-methyl-5-phenylpyrimidine);5-methyl-2-phenylpyrimidine;2-methylpyridine;3-methylpyridine;5-methyl-2-pyridin-4-ylpyrimidine;2-methylpyrimidine;1-methylpyrrolo[2,3-b]pyridine;6-methylquinoline;2-methyl-1,3,5-triazine;toluene is sourced from PubChem (CID 157075084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).