N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide

C150H164F3N29O14S12 — CID 163465109

IUPACN-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4ccccc4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4ccccn4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4cccnc4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4cnc(C)nc4)s3)C2)cc1.C=CC(=O)Nc1ccc(O[C@@H]2CCC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)c(C(F)(F)F)c1.C=CC(=O)Nc1cccc(C(=O)N2CCCC(Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)c1
InChIInChI=1S/C27H31F3N4O3S2.C26H31N5O3S2.C25H26N4O2S2.C24H26N6O2S2.2C24H25N5O2S2/c1-5-22(35)33-17-9-10-20(19(12-17)27(28,29)30)36-18-8-6-7-16(11-18)34-25-32-14-24(39-25)38-15-23-31-13-21(37-23)26(2,3)4;1-5-21(32)29-18-9-6-8-17(12-18)24(33)31-11-7-10-19(15-31)30-25-28-14-23(36-25)35-16-22-27-13-20(34-22)26(2,3)4;1-2-22(30)27-20-12-10-19(11-13-20)24(31)29-14-6-9-21(16-29)28-25-26-15-23(33-25)32-17-18-7-4-3-5-8-18;1-3-21(31)28-19-8-6-18(7-9-19)23(32)30-10-4-5-20(14-30)29-24-27-13-22(34-24)33-15-17-11-25-16(2)26-12-17;1-2-21(30)27-19-9-7-18(8-10-19)23(31)29-12-4-6-20(15-29)28-24-26-14-22(33-24)32-16-17-5-3-11-25-13-17;1-2-21(30)27-18-10-8-17(9-11-18)23(31)29-13-5-7-19(15-29)28-24-26-14-22(33-24)32-16-20-6-3-4-12-25-20/h5,9-10,12-14,16,18H,1,6-8,11,15H2,2-4H3,(H,32,34)(H,33,35);5-6,8-9,12-14,19H,1,7,10-11,15-16H2,2-4H3,(H,28,30)(H,29,32);2-5,7-8,10-13,15,21H,1,6,9,14,16-17H2,(H,26,28)(H,27,30);3,6-9,11-13,20H,1,4-5,10,14-15H2,2H3,(H,27,29)(H,28,31);2-3,5,7-11,13-14,20H,1,4,6,12,15-16H2,(H,26,28)(H,27,30);2-4,6,8-12,14,19H,1,5,7,13,15-16H2,(H,26,28)(H,27,30)/t16-,18-;;21-;2*20-;19-/m1.1111/s1
InChIKeyBRWXSIMJLWIGPY-PTWHYRJNSA-N
MW3038.95 g/mol
LogP32.22
Rot. Bonds49

About N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide

N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide (PubChem CID 163465109) has the molecular formula C150H164F3N29O14S12 and a molecular weight of 3038.95 g/mol. Its IUPAC name is N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide
PubChem CID163465109
Molecular FormulaC150H164F3N29O14S12
Molecular Weight3038.95 g/mol
Exact Mass3035.96
IUPAC NameN-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4ccccc4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4ccccn4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4cccnc4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4cnc(C)nc4)s3)C2)cc1.C=CC(=O)Nc1ccc(O[C@@H]2CCC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)c(C(F)(F)F)c1.C=CC(=O)Nc1cccc(C(=O)N2CCCC(Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)c1
InChIInChI=1S/C27H31F3N4O3S2.C26H31N5O3S2.C25H26N4O2S2.C24H26N6O2S2.2C24H25N5O2S2/c1-5-22(35)33-17-9-10-20(19(12-17)27(28,29)30)36-18-8-6-7-16(11-18)34-25-32-14-24(39-25)38-15-23-31-13-21(37-23)26(2,3)4;1-5-21(32)29-18-9-6-8-17(12-18)24(33)31-11-7-10-19(15-31)30-25-28-14-23(36-25)35-16-22-27-13-20(34-22)26(2,3)4;1-2-22(30)27-20-12-10-19(11-13-20)24(31)29-14-6-9-21(16-29)28-25-26-15-23(33-25)32-17-18-7-4-3-5-8-18;1-3-21(31)28-19-8-6-18(7-9-19)23(32)30-10-4-5-20(14-30)29-24-27-13-22(34-24)33-15-17-11-25-16(2)26-12-17;1-2-21(30)27-19-9-7-18(8-10-19)23(31)29-12-4-6-20(15-29)28-24-26-14-22(33-24)32-16-17-5-3-11-25-13-17;1-2-21(30)27-18-10-8-17(9-11-18)23(31)29-13-5-7-19(15-29)28-24-26-14-22(33-24)32-16-20-6-3-4-12-25-20/h5,9-10,12-14,16,18H,1,6-8,11,15H2,2-4H3,(H,32,34)(H,33,35);5-6,8-9,12-14,19H,1,7,10-11,15-16H2,2-4H3,(H,28,30)(H,29,32);2-5,7-8,10-13,15,21H,1,6,9,14,16-17H2,(H,26,28)(H,27,30);3,6-9,11-13,20H,1,4-5,10,14-15H2,2H3,(H,27,29)(H,28,31);2-3,5,7-11,13-14,20H,1,4,6,12,15-16H2,(H,26,28)(H,27,30);2-4,6,8-12,14,19H,1,5,7,13,15-16H2,(H,26,28)(H,27,30)/t16-,18-;;21-;2*20-;19-/m1.1111/s1
InChIKeyBRWXSIMJLWIGPY-PTWHYRJNSA-N
XLogP32.22
TPSA538.52 Ų
H-Bond Donors12
H-Bond Acceptors44
Rotatable Bonds49
Heavy Atoms208
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003038.95
LogP ≤ 532.22
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide with MolForge

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Related Compounds

1-[4-butoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;bis(5-[2-(N-carbamoyl-4-heptoxyanilino)-1,3-thiazol-4-yl]-N,N-dimethylpyridine-2-carboxamide);1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-[4-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]urea;1-[4-(cyclohexylmethoxy)-3-fluorophenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;3-cyclohexyl-1-(4-octoxyphenyl)-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-(3-fluoro-4-pentoxyphenyl)-1-[4-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]urea;1-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea;1-[4-pentoxy-3-(trifluoromethyl)phenyl]-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 157342364
6-(Diethylamino)-2-(4-morpholin-2-ylanilino)-8-[[5-(1,3-thiazol-2-ylsulfonyl)-1,3-oxazol-4-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[1-(dimethylamino)ethenyl]-2-(4-pyrrolidin-3-yloxyanilino)-8-[[4-(2,2,2-trifluoroethylsulfinyl)-1,3-oxazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-pentan-3-yl-8-[(5-pyridin-4-ylsulfonyl-1,2-oxazol-4-yl)methyl]-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 157439994
CID 157454770
CID 157454770
8-[[1-(2,2-Difluoropropylsulfonyl)pyrrol-2-yl]methyl]-6-(pyridin-3-ylamino)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)anilino]-6-(1-phenylethenyl)-8-[(3-propan-2-ylsulfonylimidazol-4-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(1-methylpiperidin-2-yl)-8-[(2-methylsulfonylfuran-3-yl)methyl]-2-(4-morpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-1,3-thiazol-4-yl)-2-(4-pyrrolidin-3-yloxyanilino)-8-[[3-(1,3-thiazol-2-ylsulfinyl)furan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 157507022
6-[4-Methyl-2-(1-methylpiperidin-3-yl)pyrimidin-5-yl]-2-[4-(1-methylpiperidin-4-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[5-methyl-2-(1-methylpiperidin-2-yl)pyrimidin-4-yl]-2-[4-(oxan-2-yl)anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1-methylpyrrolidin-2-yl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-6-(5-methylthiophen-2-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(1,3,4-thiadiazol-2-yl)-2-pyridinyl]-2-(4-piperazin-1-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 157670050
N-[(2S)-1-[[4-[4-(6-amino-5-methoxy-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyrimidin-2-yl]amino]propan-2-yl]-2-methoxyacetamide;5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1,3-oxazol-4-yl]-3-methoxypyridin-2-amine;5-[2-(4-fluorophenyl)-5-pyridin-4-yl-1,3-thiazol-4-yl]-3-methoxypyridin-2-amine;3-methoxy-5-(2-phenyl-4-pyridin-4-yl-1,3-thiazol-5-yl)pyrazin-2-amine;3-methoxy-5-(2-phenyl-4-pyridin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine
CID 157731774
6-(1-Cyclopropylsulfonyl-5-methylimidazol-4-yl)-2-[4-(1-methylpiperidin-3-yl)oxyanilino]-8-phenylpyrido[2,3-d]pyrimidin-7-one;8-[2-(dimethylamino)ethyl]-6-[1-methyl-4-(methyl-methylidene-oxo-lambda6-sulfanyl)imidazol-2-yl]-2-[4-[methyl(piperidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[5-(2-methoxyethyl-methylidene-oxo-lambda6-sulfanyl)-1,3-thiazol-2-yl]-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-[methylidene-(1-methylpiperidin-4-yl)-oxo-lambda6-sulfanyl]-2-pyridinyl]-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(4-propan-2-ylsulfinyl-1,3-thiazol-2-yl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 157744113
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
CID 157886959
CID 157886959
(2'R,4'S,4'aS)-2',4'-dimethyl-8'-[4-(1,3-oxazol-2-yl)-1,3-oxazol-2-yl]spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione;(2'R,4'S,4'aS)-2',4'-dimethyl-8'-[5-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione;(2'S,4'S,4'aS)-10'-fluoro-8'-[3-(1H-imidazol-2-yl)propanoyl]-4'-methyl-2'-(trifluoromethyl)spiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione;(2'R,4'S,4'aS)-8'-(6-fluoro-3-pyridinyl)-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione;(2'R,4'S,4'aS)-8'-[5-(1H-imidazol-2-yl)-1H-imidazol-2-yl]-2',4'-dimethylspiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
CID 158293483
8-[2-(dimethylamino)ethyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-6-(1-methyl-4-thiophen-2-ylsulfonylimidazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-[5-(methyl-methylidene-oxo-lambda6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-piperidin-4-yloxyanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-3-(oxan-4-ylsulfonyl)-3H-pyrrol-5-yl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;6-[4-(1-methylpiperidin-4-yl)sulfonylthiophen-2-yl]-2-(4-piperidin-3-yloxyanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;molecular hydrogen
CID 158372033
6-(4-Cyclohexylphenyl)-2-[4-(4-methylthiomorpholin-2-yl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-8-(oxan-4-ylmethyl)-6-[2-(1,3-thiazol-2-yl)pyrimidin-5-yl]pyrido[2,3-d]pyrimidin-7-one;2-[3-fluoro-4-(3-methylpiperazin-1-yl)anilino]-6-(5-piperidin-4-yl-2-pyridinyl)-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-3-yl)oxyanilino]-6-[1-(1-methylpyrrolidin-3-yl)imidazol-2-yl]-8-phenylpyrido[2,3-d]pyrimidin-7-one;2-[4-(1-methylpiperidin-4-yl)oxyanilino]-6-(2-piperidin-2-ylphenyl)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one
CID 158413340

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide (CID 163465109) is N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4ccccc4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4ccccn4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4cccnc4)s3)C2)cc1.C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4cnc(C)nc4)s3)C2)cc1.C=CC(=O)Nc1ccc(O[C@@H]2CCC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)c(C(F)(F)F)c1.C=CC(=O)Nc1cccc(C(=O)N2CCCC(Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)c1.
What is the InChIKey of N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide?
The InChIKey is BRWXSIMJLWIGPY-PTWHYRJNSA-N. The full InChI is InChI=1S/C27H31F3N4O3S2.C26H31N5O3S2.C25H26N4O2S2.C24H26N6O2S2.2C24H25N5O2S2/c1-5-22(35)33-17-9-10-20(19(12-17)27(28,29)30)36-18-8-6-7-16(11-18)34-25-32-14-24(39-25)38-15-23-31-13-21(37-23)26(2,3)4;1-5-21(32)29-18-9-6-8-17(12-18)24(33)31-11-7-10-19(15-31)30-25-28-14-23(36-25)35-16-22-27-13-20(34-22)26(2,3)4;1-2-22(30)27-20-12-10-19(11-13-20)24(31)29-14-6-9-21(16-29)28-25-26-15-23(33-25)32-17-18-7-4-3-5-8-18;1-3-21(31)28-19-8-6-18(7-9-19)23(32)30-10-4-5-20(14-30)29-24-27-13-22(34-24)33-15-17-11-25-16(2)26-12-17;1-2-21(30)27-19-9-7-18(8-10-19)23(31)29-12-4-6-20(15-29)28-24-26-14-22(33-24)32-16-17-5-3-11-25-13-17;1-2-21(30)27-18-10-8-17(9-11-18)23(31)29-13-5-7-19(15-29)28-24-26-14-22(33-24)32-16-20-6-3-4-12-25-20/h5,9-10,12-14,16,18H,1,6-8,11,15H2,2-4H3,(H,32,34)(H,33,35);5-6,8-9,12-14,19H,1,7,10-11,15-16H2,2-4H3,(H,28,30)(H,29,32);2-5,7-8,10-13,15,21H,1,6,9,14,16-17H2,(H,26,28)(H,27,30);3,6-9,11-13,20H,1,4-5,10,14-15H2,2H3,(H,27,29)(H,28,31);2-3,5,7-11,13-14,20H,1,4,6,12,15-16H2,(H,26,28)(H,27,30);2-4,6,8-12,14,19H,1,5,7,13,15-16H2,(H,26,28)(H,27,30)/t16-,18-;;21-;2*20-;19-/m1.1111/s1.
What are the key properties of N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide?
N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide has a molecular weight of 3038.95 g/mol, XLogP of 32.22, 49 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R)-3-[(5-benzylsulfanyl-1,3-thiazol-2-yl)amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(1R,3R)-3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]cyclohexyl]oxy-3-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-[[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-[(2-methylpyrimidin-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-2-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide;N-[4-[(3R)-3-[[5-(pyridin-3-ylmethylsulfanyl)-1,3-thiazol-2-yl]amino]piperidine-1-carbonyl]phenyl]prop-2-enamide is sourced from PubChem (CID 163465109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).