3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-methylindazole;2-methylindazole;3-methyl-2H-indazole;2-methyl-3H-indole;3-methyl-1H-indole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;4-methyl-1-phenylimidazole;1-methyl-4-phenylpyrazole;4-methyl-1-phenylpyrazole;5-methyl-3-phenyl-1H-pyrazole;5-methyl-2-phenyltetrazole;2-methyl-5-phenyl-1,3,4-thiadiazole;2-methyl-5-phenyl-1,3-thiazole;4-methyl-1-phenyltriazole;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine

C172H166N36O3S5 — CID 158492733

IUPAC3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-methylindazole;2-methylindazole;3-methyl-2H-indazole;2-methyl-3H-indole;3-methyl-1H-indole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;4-methyl-1-phenylimidazole;1-methyl-4-phenylpyrazole;4-methyl-1-phenylpyrazole;5-methyl-3-phenyl-1H-pyrazole;5-methyl-2-phenyltetrazole;2-methyl-5-phenyl-1,3,4-thiadiazole;2-methyl-5-phenyl-1,3-thiazole;4-methyl-1-phenyltriazole;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine
SMILESCC1=Nc2ccccc2C1.CN1CCc2cccnc21.Cc1[nH]nc2ccccc12.Cc1c[nH]c2ccccc12.Cc1cc(-c2ccccc2)n[nH]1.Cc1cn(-c2ccccc2)cn1.Cc1cn(-c2ccccc2)nn1.Cc1cnn(-c2ccccc2)c1.Cc1coc2ccccc12.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nc2cccnc2o1.Cc1nc2cccnc2s1.Cc1nc2ncccc2s1.Cc1ncc(-c2ccccc2)s1.Cc1nnc(-c2ccccc2)s1.Cc1nnn(-c2ccccc2)n1.Cn1cc(-c2ccccc2)cn1.Cn1cc2ccccc2n1.Cn1ncc2ccccc21
InChIInChI=1S/4C10H10N2.C10H9NS.C9H9N3.C9H8N2S.2C9H9N.C9H8O.C8H8N4.C8H10N2.3C8H8N2.C8H7NO.C8H7NS.C7H6N2O.2C7H6N2S/c1-12-8-10(7-11-12)9-5-3-2-4-6-9;1-9-7-12(8-11-9)10-5-3-2-4-6-10;1-9-7-11-12(8-9)10-5-3-2-4-6-10;1-8-7-10(12-11-8)9-5-3-2-4-6-9;1-8-11-7-10(12-8)9-5-3-2-4-6-9;1-8-7-12(11-10-8)9-5-3-2-4-6-9;1-7-10-11-9(12-7)8-5-3-2-4-6-8;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-9-11-12(10-7)8-5-3-2-4-6-8;1-10-6-4-7-3-2-5-9-8(7)10;1-10-6-7-4-2-3-5-8(7)9-10;1-10-8-5-3-2-4-7(8)6-9-10;1-6-7-4-2-3-5-8(7)10-9-6;2*1-6-9-7-4-2-3-5-8(7)10-6;1-5-9-6-3-2-4-8-7(6)10-5;1-5-9-7-6(10-5)3-2-4-8-7;1-5-9-6-3-2-4-8-7(6)10-5/h3*2-8H,1H3;2-7H,1H3,(H,11,12);2*2-7H,1H3;2-6H,1H3;2-6,10H,1H3;2-5H,6H2,1H3;2-6H,1H3;2-6H,1H3;2-3,5H,4,6H2,1H3;2*2-6H,1H3;2-5H,1H3,(H,9,10);2*2-5H,1H3;3*2-4H,1H3
InChIKeyHIWZCGCYHPDTMM-UHFFFAOYSA-N
MW2945.80 g/mol
LogP40.93
Rot. Bonds8

About 3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-methylindazole;2-methylindazole;3-methyl-2H-indazole;2-methyl-3H-indole;3-methyl-1H-indole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;4-methyl-1-phenylimidazole;1-methyl-4-phenylpyrazole;4-methyl-1-phenylpyrazole;5-methyl-3-phenyl-1H-pyrazole;5-methyl-2-phenyltetrazole;2-methyl-5-phenyl-1,3,4-thiadiazole;2-methyl-5-phenyl-1,3-thiazole;4-methyl-1-phenyltriazole;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine

3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-methylindazole;2-methylindazole;3-methyl-2H-indazole;2-methyl-3H-indole;3-methyl-1H-indole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;4-methyl-1-phenylimidazole;1-methyl-4-phenylpyrazole;4-methyl-1-phenylpyrazole;5-methyl-3-phenyl-1H-pyrazole;5-methyl-2-phenyltetrazole;2-methyl-5-phenyl-1,3,4-thiadiazole;2-methyl-5-phenyl-1,3-thiazole;4-methyl-1-phenyltriazole;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 158492733) has the molecular formula C172H166N36O3S5 and a molecular weight of 2945.80 g/mol. Its IUPAC name is 3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-methylindazole;2-methylindazole;3-methyl-2H-indazole;2-methyl-3H-indole;3-methyl-1H-indole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;4-methyl-1-phenylimidazole;1-methyl-4-phenylpyrazole;4-methyl-1-phenylpyrazole;5-methyl-3-phenyl-1H-pyrazole;5-methyl-2-phenyltetrazole;2-methyl-5-phenyl-1,3,4-thiadiazole;2-methyl-5-phenyl-1,3-thiazole;4-methyl-1-phenyltriazole;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-methylindazole;2-methylindazole;3-methyl-2H-indazole;2-methyl-3H-indole;3-methyl-1H-indole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;4-methyl-1-phenylimidazole;1-methyl-4-phenylpyrazole;4-methyl-1-phenylpyrazole;5-methyl-3-phenyl-1H-pyrazole;5-methyl-2-phenyltetrazole;2-methyl-5-phenyl-1,3,4-thiadiazole;2-methyl-5-phenyl-1,3-thiazole;4-methyl-1-phenyltriazole;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine
PubChem CID158492733
Molecular FormulaC172H166N36O3S5
Molecular Weight2945.80 g/mol
Exact Mass2943.25
IUPAC Name3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-methylindazole;2-methylindazole;3-methyl-2H-indazole;2-methyl-3H-indole;3-methyl-1H-indole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;4-methyl-1-phenylimidazole;1-methyl-4-phenylpyrazole;4-methyl-1-phenylpyrazole;5-methyl-3-phenyl-1H-pyrazole;5-methyl-2-phenyltetrazole;2-methyl-5-phenyl-1,3,4-thiadiazole;2-methyl-5-phenyl-1,3-thiazole;4-methyl-1-phenyltriazole;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine
SMILESCC1=Nc2ccccc2C1.CN1CCc2cccnc21.Cc1[nH]nc2ccccc12.Cc1c[nH]c2ccccc12.Cc1cc(-c2ccccc2)n[nH]1.Cc1cn(-c2ccccc2)cn1.Cc1cn(-c2ccccc2)nn1.Cc1cnn(-c2ccccc2)c1.Cc1coc2ccccc12.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nc2cccnc2o1.Cc1nc2cccnc2s1.Cc1nc2ncccc2s1.Cc1ncc(-c2ccccc2)s1.Cc1nnc(-c2ccccc2)s1.Cc1nnn(-c2ccccc2)n1.Cn1cc(-c2ccccc2)cn1.Cn1cc2ccccc2n1.Cn1ncc2ccccc21
InChIInChI=1S/4C10H10N2.C10H9NS.C9H9N3.C9H8N2S.2C9H9N.C9H8O.C8H8N4.C8H10N2.3C8H8N2.C8H7NO.C8H7NS.C7H6N2O.2C7H6N2S/c1-12-8-10(7-11-12)9-5-3-2-4-6-9;1-9-7-12(8-11-9)10-5-3-2-4-6-10;1-9-7-11-12(8-9)10-5-3-2-4-6-10;1-8-7-10(12-11-8)9-5-3-2-4-6-9;1-8-11-7-10(12-8)9-5-3-2-4-6-9;1-8-7-12(11-10-8)9-5-3-2-4-6-9;1-7-10-11-9(12-7)8-5-3-2-4-6-8;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-9-11-12(10-7)8-5-3-2-4-6-8;1-10-6-4-7-3-2-5-9-8(7)10;1-10-6-7-4-2-3-5-8(7)9-10;1-10-8-5-3-2-4-7(8)6-9-10;1-6-7-4-2-3-5-8(7)10-9-6;2*1-6-9-7-4-2-3-5-8(7)10-6;1-5-9-6-3-2-4-8-7(6)10-5;1-5-9-7-6(10-5)3-2-4-8-7;1-5-9-6-3-2-4-8-7(6)10-5/h3*2-8H,1H3;2-7H,1H3,(H,11,12);2*2-7H,1H3;2-6H,1H3;2-6,10H,1H3;2-5H,6H2,1H3;2-6H,1H3;2-6H,1H3;2-3,5H,4,6H2,1H3;2*2-6H,1H3;2-5H,1H3,(H,9,10);2*2-5H,1H3;3*2-4H,1H3
InChIKeyHIWZCGCYHPDTMM-UHFFFAOYSA-N
XLogP40.93
TPSA446.26 Ų
H-Bond Donors3
H-Bond Acceptors41
Rotatable Bonds8
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002945.80
LogP ≤ 540.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1041

Analyze 3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-methylindazole;2-methylindazole;3-methyl-2H-indazole;2-methyl-3H-indole;3-methyl-1H-indole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;4-methyl-1-phenylimidazole;1-methyl-4-phenylpyrazole;4-methyl-1-phenylpyrazole;5-methyl-3-phenyl-1H-pyrazole;5-methyl-2-phenyltetrazole;2-methyl-5-phenyl-1,3,4-thiadiazole;2-methyl-5-phenyl-1,3-thiazole;4-methyl-1-phenyltriazole;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine with MolForge

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Related Compounds

2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-5-cyclopropyl-1,3,4-thiadiazole;5-tert-butyl-3-cyclopropyl-1,2,4-thiadiazole;2-tert-butyl-4,5-dimethyl-1,3-thiazole;tetrakis(5-tert-butyl-3-methyl-1,2,4-thiadiazole);2-tert-butyl-5-methyl-1,3-thiazole;2-tert-butyl-5-phenyl-1,3-thiazole;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-tert-butyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 157130984
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
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-benzofuran;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrazin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2,4-dimethyl-1,3-thiazole;2-ethyl-6-methoxypyridine;N-ethyl-N-methyl-1,3-thiazol-2-amine;2-fluoro-3-methylpyridine;2-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;tris(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-propylpyrazole;1H-pyrido[3,4-b][1,4]thiazine;2-pyrrolidin-1-yl-1,3-thiazole;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 157457452
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
Dialuminum;trigallium;[2-(1,3-benzothiazol-2-yl)phenyl]-methylsulfonylazanide;[2-(1,3-benzoxazol-2-yl)phenyl]-pyrazin-2-ylazanide;7-(3-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;7-(4-methylphenyl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-olate;2-pyridin-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-olate
CID 157760113
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
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
1,3-benzothiazole;6-chloroimidazo[1,2-a]pyridine;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);1-methylpyrrolo[2,3-c]pyridine;1-propylpyrazole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[2,3-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 158201797
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
5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;2-tert-butyl-6-chloroimidazo[1,2-b]pyridazine;2-tert-butyl-3-chloropyrazolo[1,5-a]pyrimidine;2-tert-butyl-5-chloropyrazolo[1,5-a]pyrimidine;2-tert-butyl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine;3-tert-butyl-2-cyclopropylimidazo[1,2-b]pyridazine;2-tert-butyl-7-cyclopropylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine;2-tert-butylimidazo[1,2-a]pyrazine;5-tert-butyl-1H-indole;3-tert-butyl-2-methylpyrazolo[1,5-a]pyrimidine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;2-tert-butyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;3-tert-butyl-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 158333268

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-methylindazole;2-methylindazole;3-methyl-2H-indazole;2-methyl-3H-indole;3-methyl-1H-indole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;4-methyl-1-phenylimidazole;1-methyl-4-phenylpyrazole;4-methyl-1-phenylpyrazole;5-methyl-3-phenyl-1H-pyrazole;5-methyl-2-phenyltetrazole;2-methyl-5-phenyl-1,3,4-thiadiazole;2-methyl-5-phenyl-1,3-thiazole;4-methyl-1-phenyltriazole;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-methylindazole;2-methylindazole;3-methyl-2H-indazole;2-methyl-3H-indole;3-methyl-1H-indole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;4-methyl-1-phenylimidazole;1-methyl-4-phenylpyrazole;4-methyl-1-phenylpyrazole;5-methyl-3-phenyl-1H-pyrazole;5-methyl-2-phenyltetrazole;2-methyl-5-phenyl-1,3,4-thiadiazole;2-methyl-5-phenyl-1,3-thiazole;4-methyl-1-phenyltriazole;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine (CID 158492733) is 3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-methylindazole;2-methylindazole;3-methyl-2H-indazole;2-methyl-3H-indole;3-methyl-1H-indole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;4-methyl-1-phenylimidazole;1-methyl-4-phenylpyrazole;4-methyl-1-phenylpyrazole;5-methyl-3-phenyl-1H-pyrazole;5-methyl-2-phenyltetrazole;2-methyl-5-phenyl-1,3,4-thiadiazole;2-methyl-5-phenyl-1,3-thiazole;4-methyl-1-phenyltriazole;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-methylindazole;2-methylindazole;3-methyl-2H-indazole;2-methyl-3H-indole;3-methyl-1H-indole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;4-methyl-1-phenylimidazole;1-methyl-4-phenylpyrazole;4-methyl-1-phenylpyrazole;5-methyl-3-phenyl-1H-pyrazole;5-methyl-2-phenyltetrazole;2-methyl-5-phenyl-1,3,4-thiadiazole;2-methyl-5-phenyl-1,3-thiazole;4-methyl-1-phenyltriazole;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-methylindazole;2-methylindazole;3-methyl-2H-indazole;2-methyl-3H-indole;3-methyl-1H-indole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;4-methyl-1-phenylimidazole;1-methyl-4-phenylpyrazole;4-methyl-1-phenylpyrazole;5-methyl-3-phenyl-1H-pyrazole;5-methyl-2-phenyltetrazole;2-methyl-5-phenyl-1,3,4-thiadiazole;2-methyl-5-phenyl-1,3-thiazole;4-methyl-1-phenyltriazole;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine is CC1=Nc2ccccc2C1.CN1CCc2cccnc21.Cc1[nH]nc2ccccc12.Cc1c[nH]c2ccccc12.Cc1cc(-c2ccccc2)n[nH]1.Cc1cn(-c2ccccc2)cn1.Cc1cn(-c2ccccc2)nn1.Cc1cnn(-c2ccccc2)c1.Cc1coc2ccccc12.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nc2cccnc2o1.Cc1nc2cccnc2s1.Cc1nc2ncccc2s1.Cc1ncc(-c2ccccc2)s1.Cc1nnc(-c2ccccc2)s1.Cc1nnn(-c2ccccc2)n1.Cn1cc(-c2ccccc2)cn1.Cn1cc2ccccc2n1.Cn1ncc2ccccc21.
What is the InChIKey of 3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-methylindazole;2-methylindazole;3-methyl-2H-indazole;2-methyl-3H-indole;3-methyl-1H-indole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;4-methyl-1-phenylimidazole;1-methyl-4-phenylpyrazole;4-methyl-1-phenylpyrazole;5-methyl-3-phenyl-1H-pyrazole;5-methyl-2-phenyltetrazole;2-methyl-5-phenyl-1,3,4-thiadiazole;2-methyl-5-phenyl-1,3-thiazole;4-methyl-1-phenyltriazole;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is HIWZCGCYHPDTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H10N2.C10H9NS.C9H9N3.C9H8N2S.2C9H9N.C9H8O.C8H8N4.C8H10N2.3C8H8N2.C8H7NO.C8H7NS.C7H6N2O.2C7H6N2S/c1-12-8-10(7-11-12)9-5-3-2-4-6-9;1-9-7-12(8-11-9)10-5-3-2-4-6-10;1-9-7-11-12(8-9)10-5-3-2-4-6-10;1-8-7-10(12-11-8)9-5-3-2-4-6-9;1-8-11-7-10(12-8)9-5-3-2-4-6-9;1-8-7-12(11-10-8)9-5-3-2-4-6-9;1-7-10-11-9(12-7)8-5-3-2-4-6-8;1-7-6-10-9-5-3-2-4-8(7)9;1-7-6-8-4-2-3-5-9(8)10-7;1-7-6-10-9-5-3-2-4-8(7)9;1-7-9-11-12(10-7)8-5-3-2-4-6-8;1-10-6-4-7-3-2-5-9-8(7)10;1-10-6-7-4-2-3-5-8(7)9-10;1-10-8-5-3-2-4-7(8)6-9-10;1-6-7-4-2-3-5-8(7)10-9-6;2*1-6-9-7-4-2-3-5-8(7)10-6;1-5-9-6-3-2-4-8-7(6)10-5;1-5-9-7-6(10-5)3-2-4-8-7;1-5-9-6-3-2-4-8-7(6)10-5/h3*2-8H,1H3;2-7H,1H3,(H,11,12);2*2-7H,1H3;2-6H,1H3;2-6,10H,1H3;2-5H,6H2,1H3;2-6H,1H3;2-6H,1H3;2-3,5H,4,6H2,1H3;2*2-6H,1H3;2-5H,1H3,(H,9,10);2*2-5H,1H3;3*2-4H,1H3.
What are the key properties of 3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-methylindazole;2-methylindazole;3-methyl-2H-indazole;2-methyl-3H-indole;3-methyl-1H-indole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;4-methyl-1-phenylimidazole;1-methyl-4-phenylpyrazole;4-methyl-1-phenylpyrazole;5-methyl-3-phenyl-1H-pyrazole;5-methyl-2-phenyltetrazole;2-methyl-5-phenyl-1,3,4-thiadiazole;2-methyl-5-phenyl-1,3-thiazole;4-methyl-1-phenyltriazole;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine?
3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-methylindazole;2-methylindazole;3-methyl-2H-indazole;2-methyl-3H-indole;3-methyl-1H-indole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;4-methyl-1-phenylimidazole;1-methyl-4-phenylpyrazole;4-methyl-1-phenylpyrazole;5-methyl-3-phenyl-1H-pyrazole;5-methyl-2-phenyltetrazole;2-methyl-5-phenyl-1,3,4-thiadiazole;2-methyl-5-phenyl-1,3-thiazole;4-methyl-1-phenyltriazole;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 2945.80 g/mol, XLogP of 40.93, 8 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-methylindazole;2-methylindazole;3-methyl-2H-indazole;2-methyl-3H-indole;3-methyl-1H-indole;2-methyl-[1,3]oxazolo[5,4-b]pyridine;4-methyl-1-phenylimidazole;1-methyl-4-phenylpyrazole;4-methyl-1-phenylpyrazole;5-methyl-3-phenyl-1H-pyrazole;5-methyl-2-phenyltetrazole;2-methyl-5-phenyl-1,3,4-thiadiazole;2-methyl-5-phenyl-1,3-thiazole;4-methyl-1-phenyltriazole;2-methyl-[1,3]thiazolo[4,5-b]pyridine;2-methyl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 158492733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).