N-benzyl-2-methylpropanamide;cumene;methane;2-methyl-N-phenylpropanamide;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-phenyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

C229H323N29O7S8 — CID 158586888

IUPACN-benzyl-2-methylpropanamide;cumene;methane;2-methyl-N-phenylpropanamide;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-phenyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESC.C.C.C.CC(C)C(=O)NCc1ccccc1.CC(C)C(=O)Nc1ccccc1.CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1cccc2cccnc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cocn1.CC(C)c1csc(-c2ccccc2)n1.CC(C)c1csc(-c2cccnc2)n1.CC(C)c1csc(-c2ccncc2)n1.CC(C)c1cscn1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1
InChIInChI=1S/C12H13NS.C12H13N.2C11H12N2S.C11H15NO.C10H12N2.C10H13NO.C9H12.2C8H13N.3C8H11N.3C7H10N2.2C7H11N.2C7H10O.2C7H10S.3C6H9NO.3C6H9NS.4CH4/c1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-8(2)10-7-14-11(13-10)9-3-5-12-6-4-9;1-8(2)10-7-14-11(13-10)9-4-3-5-12-6-9;1-9(2)11(13)12-8-10-6-4-3-5-7-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)10(12)11-9-6-4-3-5-7-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;;;;/h3-9H,1-2H3;3-9H,1-2H3;2*3-8H,1-2H3;3-7,9H,8H2,1-2H3,(H,12,13);3-7H,1-2H3,(H,11,12);3-8H,1-2H3,(H,11,12);3-8H,1-2H3;2*4-7H,1-3H3;3*3-7H,1-2H3;3*3-6H,1-2H3;2*3-6,8H,1-2H3;4*3-6H,1-2H3;6*3-5H,1-2H3;4*1H4
InChIKeyHTYBFYRJIYOLKO-UHFFFAOYSA-N
MW3850.83 g/mol
LogP68.96
Rot. Bonds34

About N-benzyl-2-methylpropanamide;cumene;methane;2-methyl-N-phenylpropanamide;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-phenyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene

N-benzyl-2-methylpropanamide;cumene;methane;2-methyl-N-phenylpropanamide;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-phenyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (PubChem CID 158586888) has the molecular formula C229H323N29O7S8 and a molecular weight of 3850.83 g/mol. Its IUPAC name is N-benzyl-2-methylpropanamide;cumene;methane;2-methyl-N-phenylpropanamide;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-phenyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.

Molecular Properties

Compound NameN-benzyl-2-methylpropanamide;cumene;methane;2-methyl-N-phenylpropanamide;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-phenyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
PubChem CID158586888
Molecular FormulaC229H323N29O7S8
Molecular Weight3850.83 g/mol
Exact Mass3847.36
IUPAC NameN-benzyl-2-methylpropanamide;cumene;methane;2-methyl-N-phenylpropanamide;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-phenyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
SMILESC.C.C.C.CC(C)C(=O)NCc1ccccc1.CC(C)C(=O)Nc1ccccc1.CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1cccc2cccnc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cocn1.CC(C)c1csc(-c2ccccc2)n1.CC(C)c1csc(-c2cccnc2)n1.CC(C)c1csc(-c2ccncc2)n1.CC(C)c1cscn1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1
InChIInChI=1S/C12H13NS.C12H13N.2C11H12N2S.C11H15NO.C10H12N2.C10H13NO.C9H12.2C8H13N.3C8H11N.3C7H10N2.2C7H11N.2C7H10O.2C7H10S.3C6H9NO.3C6H9NS.4CH4/c1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-8(2)10-7-14-11(13-10)9-3-5-12-6-4-9;1-8(2)10-7-14-11(13-10)9-4-3-5-12-6-9;1-9(2)11(13)12-8-10-6-4-3-5-7-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)10(12)11-9-6-4-3-5-7-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;;;;/h3-9H,1-2H3;3-9H,1-2H3;2*3-8H,1-2H3;3-7,9H,8H2,1-2H3,(H,12,13);3-7H,1-2H3,(H,11,12);3-8H,1-2H3,(H,11,12);3-8H,1-2H3;2*4-7H,1-3H3;3*3-7H,1-2H3;3*3-6H,1-2H3;2*3-6,8H,1-2H3;4*3-6H,1-2H3;6*3-5H,1-2H3;4*1H4
InChIKeyHTYBFYRJIYOLKO-UHFFFAOYSA-N
XLogP68.96
TPSA464.71 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds34
Heavy Atoms273
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003850.83
LogP ≤ 568.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Analyze N-benzyl-2-methylpropanamide;cumene;methane;2-methyl-N-phenylpropanamide;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-phenyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene with MolForge

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Related Compounds

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
tert-butylbenzene;bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine
CID 157716365
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
CID 158633368
CID 158633368
2-Amino-5-[2-fluoro-5-(furan-3-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 158760585
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
8-(cyclobutylmethoxy)-N-(1,3-thiazol-2-ylmethyl)-7H-purin-6-amine;N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(3-methylphenyl)methyl]-7H-purin-6-amine;N-[2-[2-(trifluoromethyl)phenyl]ethyl]-7H-purin-6-amine
CID 159507027
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
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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methylpropanamide;cumene;methane;2-methyl-N-phenylpropanamide;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-phenyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The IUPAC name of N-benzyl-2-methylpropanamide;cumene;methane;2-methyl-N-phenylpropanamide;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-phenyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene (CID 158586888) is N-benzyl-2-methylpropanamide;cumene;methane;2-methyl-N-phenylpropanamide;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-phenyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene.
What is the SMILES notation for N-benzyl-2-methylpropanamide;cumene;methane;2-methyl-N-phenylpropanamide;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-phenyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The canonical SMILES for N-benzyl-2-methylpropanamide;cumene;methane;2-methyl-N-phenylpropanamide;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-phenyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is C.C.C.C.CC(C)C(=O)NCc1ccccc1.CC(C)C(=O)Nc1ccccc1.CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1cccc2cccnc12.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccn1C.CC(C)c1cccnc1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cnccn1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1cocn1.CC(C)c1csc(-c2ccccc2)n1.CC(C)c1csc(-c2cccnc2)n1.CC(C)c1csc(-c2ccncc2)n1.CC(C)c1cscn1.CC(C)c1nc2ccccc2[nH]1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)c1nccs1.
What is the InChIKey of N-benzyl-2-methylpropanamide;cumene;methane;2-methyl-N-phenylpropanamide;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-phenyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
The InChIKey is HTYBFYRJIYOLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS.C12H13N.2C11H12N2S.C11H15NO.C10H12N2.C10H13NO.C9H12.2C8H13N.3C8H11N.3C7H10N2.2C7H11N.2C7H10O.2C7H10S.3C6H9NO.3C6H9NS.4CH4/c1-9(2)11-8-14-12(13-11)10-6-4-3-5-7-10;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-8(2)10-7-14-11(13-10)9-3-5-12-6-4-9;1-8(2)10-7-14-11(13-10)9-4-3-5-12-6-9;1-9(2)11(13)12-8-10-6-4-3-5-7-10;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-8(2)10(12)11-9-6-4-3-5-7-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;;;;/h3-9H,1-2H3;3-9H,1-2H3;2*3-8H,1-2H3;3-7,9H,8H2,1-2H3,(H,12,13);3-7H,1-2H3,(H,11,12);3-8H,1-2H3,(H,11,12);3-8H,1-2H3;2*4-7H,1-3H3;3*3-7H,1-2H3;3*3-6H,1-2H3;2*3-6,8H,1-2H3;4*3-6H,1-2H3;6*3-5H,1-2H3;4*1H4.
What are the key properties of N-benzyl-2-methylpropanamide;cumene;methane;2-methyl-N-phenylpropanamide;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-phenyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene?
N-benzyl-2-methylpropanamide;cumene;methane;2-methyl-N-phenylpropanamide;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-phenyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene has a molecular weight of 3850.83 g/mol, XLogP of 68.96, 34 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methylpropanamide;cumene;methane;2-methyl-N-phenylpropanamide;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-phenyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-benzimidazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-2-pyridin-3-yl-1,3-thiazole;4-propan-2-yl-2-pyridin-4-yl-1,3-thiazole;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;8-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene is sourced from PubChem (CID 158586888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).