N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;7-propan-2-yl-1,3-benzothiazol-2-amine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;3-propan-2-ylthieno[2,3-c]pyridine

C231H298F2N22O4S8 — CID 160642238

IUPACN,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;7-propan-2-yl-1,3-benzothiazol-2-amine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;3-propan-2-ylthieno[2,3-c]pyridine
SMILESCC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CNC2.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc2c1C(=O)CC2.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2c1CN(C)C2=O.CC(C)c1cccc2c1CNC2.CC(C)c1cccc2c1CNC2=O.CC(C)c1cccc2nc(N)sc12.CC(C)c1cccc2ncsc12.CC(C)c1cccc2scnc12.CC(C)c1cccnc1N(C)C.CC(C)c1csc2cnccc12.CCc1nc(F)ccc1C(C)C.CCc1ncccc1C(C)C.Cc1c(C(C)C)ccc(=O)n1C.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(F)n1.Cc1nc2cccc(C(C)C)c2s1
InChIInChI=1S/C12H15NO.C12H14O.C12H16.C11H13NO.C11H13NS.3C11H15N.C11H12S.C10H14FN.C10H12N2S.2C10H16N2.C10H15NO.5C10H11NS.2C10H15N.C9H12FN/c1-8(2)9-5-4-6-10-11(9)7-13(3)12(10)14;1-8(2)10-5-3-4-9-6-7-11(13)12(9)10;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-4-3-5-9-10(8)6-12-11(9)13;1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)10-5-3-4-9-6-12-7-11(9)10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-4-9-8(7(2)3)5-6-10(11)12-9;1-6(2)7-4-3-5-8-9(7)13-10(11)12-8;1-8(2)9-5-6-10(11-7-9)12(3)4;1-8(2)9-6-5-7-11-10(9)12(3)4;1-7(2)9-5-6-10(12)11(4)8(9)3;1-7(2)9-6-12-10-5-11-4-3-8(9)10;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)10-6-5-8(3)11-9(10)4;1-4-10-9(8(2)3)6-5-7-11-10;1-6(2)8-5-4-7(3)11-9(8)10/h4-6,8H,7H2,1-3H3;3-5,8H,6-7H2,1-2H3;6-9H,3-5H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);4-7H,1-3H3;3*3-5,8,12H,6-7H2,1-2H3;3-8H,1-2H3;5-7H,4H2,1-3H3;3-6H,1-2H3,(H2,11,12);2*5-8H,1-4H3;5-7H,1-4H3;5*3-7H,1-2H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-6H,1-3H3
InChIKeyRJIDKNJXDTXGRM-UHFFFAOYSA-N
MW3741.61 g/mol
LogP63.65
Rot. Bonds26

About N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;7-propan-2-yl-1,3-benzothiazol-2-amine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;3-propan-2-ylthieno[2,3-c]pyridine

N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;7-propan-2-yl-1,3-benzothiazol-2-amine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;3-propan-2-ylthieno[2,3-c]pyridine (PubChem CID 160642238) has the molecular formula C231H298F2N22O4S8 and a molecular weight of 3741.61 g/mol. Its IUPAC name is N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;7-propan-2-yl-1,3-benzothiazol-2-amine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;3-propan-2-ylthieno[2,3-c]pyridine.

Molecular Properties

Compound NameN,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;7-propan-2-yl-1,3-benzothiazol-2-amine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;3-propan-2-ylthieno[2,3-c]pyridine
PubChem CID160642238
Molecular FormulaC231H298F2N22O4S8
Molecular Weight3741.61 g/mol
Exact Mass3738.15
IUPAC NameN,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;7-propan-2-yl-1,3-benzothiazol-2-amine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;3-propan-2-ylthieno[2,3-c]pyridine
SMILESCC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CNC2.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc2c1C(=O)CC2.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2c1CN(C)C2=O.CC(C)c1cccc2c1CNC2.CC(C)c1cccc2c1CNC2=O.CC(C)c1cccc2nc(N)sc12.CC(C)c1cccc2ncsc12.CC(C)c1cccc2scnc12.CC(C)c1cccnc1N(C)C.CC(C)c1csc2cnccc12.CCc1nc(F)ccc1C(C)C.CCc1ncccc1C(C)C.Cc1c(C(C)C)ccc(=O)n1C.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(F)n1.Cc1nc2cccc(C(C)C)c2s1
InChIInChI=1S/C12H15NO.C12H14O.C12H16.C11H13NO.C11H13NS.3C11H15N.C11H12S.C10H14FN.C10H12N2S.2C10H16N2.C10H15NO.5C10H11NS.2C10H15N.C9H12FN/c1-8(2)9-5-4-6-10-11(9)7-13(3)12(10)14;1-8(2)10-5-3-4-9-6-7-11(13)12(9)10;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-4-3-5-9-10(8)6-12-11(9)13;1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)10-5-3-4-9-6-12-7-11(9)10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-4-9-8(7(2)3)5-6-10(11)12-9;1-6(2)7-4-3-5-8-9(7)13-10(11)12-8;1-8(2)9-5-6-10(11-7-9)12(3)4;1-8(2)9-6-5-7-11-10(9)12(3)4;1-7(2)9-5-6-10(12)11(4)8(9)3;1-7(2)9-6-12-10-5-11-4-3-8(9)10;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)10-6-5-8(3)11-9(10)4;1-4-10-9(8(2)3)6-5-7-11-10;1-6(2)8-5-4-7(3)11-9(8)10/h4-6,8H,7H2,1-3H3;3-5,8H,6-7H2,1-2H3;6-9H,3-5H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);4-7H,1-3H3;3*3-5,8,12H,6-7H2,1-2H3;3-8H,1-2H3;5-7H,4H2,1-3H3;3-6H,1-2H3,(H2,11,12);2*5-8H,1-4H3;5-7H,1-4H3;5*3-7H,1-2H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-6H,1-3H3
InChIKeyRJIDKNJXDTXGRM-UHFFFAOYSA-N
XLogP63.65
TPSA324.64 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds26
Heavy Atoms267
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003741.61
LogP ≤ 563.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;7-propan-2-yl-1,3-benzothiazol-2-amine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;3-propan-2-ylthieno[2,3-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

3-(2-amino-4-fluoro-1,3-benzothiazol-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(2-aminoquinolin-6-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[4-(2-hydroxyethylsulfonyl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-[3-(4-hydroxypiperidin-1-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(1-oxo-2,3-dihydroisoindol-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;3-(6-piperidin-4-yl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 159206289
CID 165072415
CID 165072415
2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-methyl-4-(2-methylphenyl)phenyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)-2-pyridinyl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide;2-(5,6-dimethyl-1-benzothiophen-2-yl)-N-[5-(2-methylphenyl)pyrimidin-2-yl]cyclopentane-1-carboxamide
CID 90954788
4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;1-methyl-5-propan-2-yl-3H-indol-2-one;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-4-(4-propan-2-yl-2-pyridinyl)-3H-indol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)-3H-indol-2-one;5-propan-2-yl-1,3-dihydroindol-2-one;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-(4-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;2-(4-propan-2-yl-2-pyridinyl)-1H-pyrrolo[3,4-c]pyridin-3-one;1-propan-2-ylpyrrolo[3,2-c]pyridine
CID 157738929
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(isoquinolin-5-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-methylimidazo[4,5-b]pyridin-6-yl)methyl]pyridin-3-amine;N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-8-ylmethyl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one
CID 158206863
2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole
CID 158245412
tert-butyl 4-[3-fluoro-4-[3-oxo-2-[(1R)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]-1H-isoindol-5-yl]phenyl]piperazine-1-carboxylate;2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 158257776
N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-4-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;1,5,6-trimethylpyridin-2-one
CID 159003111
2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one
CID 159098519
2-cyclobutyl-5-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-ethyl-4-propan-2-yl-1,3-dihydroisoindole;2-ethyl-7-propan-2-yl-3,4-dihydro-1H-isoquinoline;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;2-methyl-7-propan-2-yl-3H-isoindol-1-one;2-(oxetan-3-yl)-4-propan-2-yl-1,3-dihydroisoindole;7-propan-2-yl-1,3-benzothiazol-2-amine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydroisoindol-1-one;7-propan-2-yl-2,3-dihydroisoindol-1-one;3-propan-2-ylthieno[2,3-c]pyridine
CID 159358251
6-[5-[3-(5-fluorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-imidazo[4,5-g]isoquinolin-5-one;6-[5-[3-(5-fluorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-2-methyl-1,3-dihydropyrrolo[3,4-g]isoquinolin-5-one;2-[5-[3-(5-fluorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-methyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide;6-[5-[3-(5-fluorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-3H-pyrrolo[2,3-g]isoquinolin-5-one;6-[5-[3-(5-fluorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-[1,3]thiazolo[4,5-g]isoquinolin-5-one
CID 160789931
(2R)-2-(3-fluorophenyl)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[5-(1H-indol-5-yl)-3-oxo-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1H-isoindol-2-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide;(2R)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-2-pyridin-2-yl-N-(1,3-thiazol-2-yl)acetamide
CID 160822504

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;7-propan-2-yl-1,3-benzothiazol-2-amine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;3-propan-2-ylthieno[2,3-c]pyridine?
The IUPAC name of N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;7-propan-2-yl-1,3-benzothiazol-2-amine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;3-propan-2-ylthieno[2,3-c]pyridine (CID 160642238) is N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;7-propan-2-yl-1,3-benzothiazol-2-amine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;3-propan-2-ylthieno[2,3-c]pyridine.
What is the SMILES notation for N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;7-propan-2-yl-1,3-benzothiazol-2-amine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;3-propan-2-ylthieno[2,3-c]pyridine?
The canonical SMILES for N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;7-propan-2-yl-1,3-benzothiazol-2-amine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;3-propan-2-ylthieno[2,3-c]pyridine is CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CNC2.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1cccc2c1C(=O)CC2.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2c1CN(C)C2=O.CC(C)c1cccc2c1CNC2.CC(C)c1cccc2c1CNC2=O.CC(C)c1cccc2nc(N)sc12.CC(C)c1cccc2ncsc12.CC(C)c1cccc2scnc12.CC(C)c1cccnc1N(C)C.CC(C)c1csc2cnccc12.CCc1nc(F)ccc1C(C)C.CCc1ncccc1C(C)C.Cc1c(C(C)C)ccc(=O)n1C.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(F)n1.Cc1nc2cccc(C(C)C)c2s1.
What is the InChIKey of N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;7-propan-2-yl-1,3-benzothiazol-2-amine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;3-propan-2-ylthieno[2,3-c]pyridine?
The InChIKey is RJIDKNJXDTXGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C12H14O.C12H16.C11H13NO.C11H13NS.3C11H15N.C11H12S.C10H14FN.C10H12N2S.2C10H16N2.C10H15NO.5C10H11NS.2C10H15N.C9H12FN/c1-8(2)9-5-4-6-10-11(9)7-13(3)12(10)14;1-8(2)10-5-3-4-9-6-7-11(13)12(9)10;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-4-3-5-9-10(8)6-12-11(9)13;1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-8(2)9-3-4-10-6-12-7-11(10)5-9;1-8(2)10-5-3-4-9-6-12-7-11(9)10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-4-9-8(7(2)3)5-6-10(11)12-9;1-6(2)7-4-3-5-8-9(7)13-10(11)12-8;1-8(2)9-5-6-10(11-7-9)12(3)4;1-8(2)9-6-5-7-11-10(9)12(3)4;1-7(2)9-5-6-10(12)11(4)8(9)3;1-7(2)9-6-12-10-5-11-4-3-8(9)10;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)10-6-5-8(3)11-9(10)4;1-4-10-9(8(2)3)6-5-7-11-10;1-6(2)8-5-4-7(3)11-9(8)10/h4-6,8H,7H2,1-3H3;3-5,8H,6-7H2,1-2H3;6-9H,3-5H2,1-2H3;3-5,7H,6H2,1-2H3,(H,12,13);4-7H,1-3H3;3*3-5,8,12H,6-7H2,1-2H3;3-8H,1-2H3;5-7H,4H2,1-3H3;3-6H,1-2H3,(H2,11,12);2*5-8H,1-4H3;5-7H,1-4H3;5*3-7H,1-2H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-6H,1-3H3.
What are the key properties of N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;7-propan-2-yl-1,3-benzothiazol-2-amine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;3-propan-2-ylthieno[2,3-c]pyridine?
N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;7-propan-2-yl-1,3-benzothiazol-2-amine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;3-propan-2-ylthieno[2,3-c]pyridine has a molecular weight of 3741.61 g/mol, XLogP of 63.65, 26 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-4-propan-2-yl-3H-isoindol-1-one;7-propan-2-yl-1,3-benzothiazol-2-amine;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-2,3-dihydro-1H-indene;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;5-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one;3-propan-2-ylthieno[2,3-c]pyridine is sourced from PubChem (CID 160642238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).