8-amino-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-1-thia-3-azaspiro[4.5]decan-4-one;5-(2-amino-4-pyridinyl)-2-[(1S)-1-(2,4-difluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(2-methyl-4-pyridinyl)-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-8-methyl-1-thia-3-azaspiro[4.5]decan-4-one;5-methyl-5-(2-methyl-4-pyridinyl)-2-[(1R)-2,2,2-trifluoro-1-(2-fluorophenyl)ethyl]imino-1,3-thiazolidin-4-one;5-methyl-2-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one

C133H137F14N23O12S11 — CID 157130728

IUPAC8-amino-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-1-thia-3-azaspiro[4.5]decan-4-one;5-(2-amino-4-pyridinyl)-2-[(1S)-1-(2,4-difluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(2-methyl-4-pyridinyl)-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-8-methyl-1-thia-3-azaspiro[4.5]decan-4-one;5-methyl-5-(2-methyl-4-pyridinyl)-2-[(1R)-2,2,2-trifluoro-1-(2-fluorophenyl)ethyl]imino-1,3-thiazolidin-4-one;5-methyl-2-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one
SMILESCC1CCC2(CC1)S/C(=N\[C@@H](C)c1ccccc1F)NC2=O.C[C@H](/N=C1/NC(=O)C(C)(c2ccc(S(C)(=O)=O)cc2)S1)c1ccccc1F.C[C@H](/N=C1/NC(=O)C(C)(c2ccnc(N)c2)S1)c1ccc(F)cc1F.C[C@H](/N=C1/NC(=O)C2(CCC(N)CC2)S1)c1ccccc1F.C[C@H](/N=C1\NC(=O)C(C)(C(F)(F)F)S1)c1nccs1.C[C@H](/N=C1\NC(=O)C(C)(c2ccc(S(N)(=O)=O)cc2)S1)c1ccccc1F.Cc1cc(C2(C)S/C(=N\[C@@H](C)c3ccccc3F)NC2=O)ccn1.Cc1cc(C2(C)S/C(=N\[C@H](c3ccccc3F)C(F)(F)F)NC2=O)ccn1
InChIInChI=1S/C19H19FN2O3S2.C18H15F4N3OS.C18H18FN3O3S2.C18H18FN3OS.C17H16F2N4OS.C17H21FN2OS.C16H20FN3OS.C10H10F3N3OS2/c1-12(15-6-4-5-7-16(15)20)21-18-22-17(23)19(2,26-18)13-8-10-14(11-9-13)27(3,24)25;1-10-9-11(7-8-23-10)17(2)15(26)25-16(27-17)24-14(18(20,21)22)12-5-3-4-6-13(12)19;1-11(14-5-3-4-6-15(14)19)21-17-22-16(23)18(2,26-17)12-7-9-13(10-8-12)27(20,24)25;1-11-10-13(8-9-20-11)18(3)16(23)22-17(24-18)21-12(2)14-6-4-5-7-15(14)19;1-9(12-4-3-11(18)8-13(12)19)22-16-23-15(24)17(2,25-16)10-5-6-21-14(20)7-10;1-11-7-9-17(10-8-11)15(21)20-16(22-17)19-12(2)13-5-3-4-6-14(13)18;1-10(12-4-2-3-5-13(12)17)19-15-20-14(21)16(22-15)8-6-11(18)7-9-16;1-5(6-14-3-4-18-6)15-8-16-7(17)9(2,19-8)10(11,12)13/h4-12H,1-3H3,(H,21,22,23);3-9,14H,1-2H3,(H,24,25,26);3-11H,1-2H3,(H2,20,24,25)(H,21,22,23);4-10,12H,1-3H3,(H,21,22,23);3-9H,1-2H3,(H2,20,21)(H,22,23,24);3-6,11-12H,7-10H2,1-2H3,(H,19,20,21);2-5,10-11H,6-9,18H2,1H3,(H,19,20,21);3-5H,1-2H3,(H,15,16,17)/t12-,19?;14-,17?;11-,18?;12-,18?;9-,17?;11?,12-,17?;10-,11?,16?;5-,9?/m01000000/s1
InChIKeyAJAQUEFIBZBGQX-ZHJACFMHSA-N
MW2868.42 g/mol
LogP26.77
Rot. Bonds23

About 8-amino-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-1-thia-3-azaspiro[4.5]decan-4-one;5-(2-amino-4-pyridinyl)-2-[(1S)-1-(2,4-difluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(2-methyl-4-pyridinyl)-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-8-methyl-1-thia-3-azaspiro[4.5]decan-4-one;5-methyl-5-(2-methyl-4-pyridinyl)-2-[(1R)-2,2,2-trifluoro-1-(2-fluorophenyl)ethyl]imino-1,3-thiazolidin-4-one;5-methyl-2-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one

8-amino-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-1-thia-3-azaspiro[4.5]decan-4-one;5-(2-amino-4-pyridinyl)-2-[(1S)-1-(2,4-difluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(2-methyl-4-pyridinyl)-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-8-methyl-1-thia-3-azaspiro[4.5]decan-4-one;5-methyl-5-(2-methyl-4-pyridinyl)-2-[(1R)-2,2,2-trifluoro-1-(2-fluorophenyl)ethyl]imino-1,3-thiazolidin-4-one;5-methyl-2-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one (PubChem CID 157130728) has the molecular formula C133H137F14N23O12S11 and a molecular weight of 2868.42 g/mol. Its IUPAC name is 8-amino-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-1-thia-3-azaspiro[4.5]decan-4-one;5-(2-amino-4-pyridinyl)-2-[(1S)-1-(2,4-difluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(2-methyl-4-pyridinyl)-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-8-methyl-1-thia-3-azaspiro[4.5]decan-4-one;5-methyl-5-(2-methyl-4-pyridinyl)-2-[(1R)-2,2,2-trifluoro-1-(2-fluorophenyl)ethyl]imino-1,3-thiazolidin-4-one;5-methyl-2-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name8-amino-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-1-thia-3-azaspiro[4.5]decan-4-one;5-(2-amino-4-pyridinyl)-2-[(1S)-1-(2,4-difluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(2-methyl-4-pyridinyl)-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-8-methyl-1-thia-3-azaspiro[4.5]decan-4-one;5-methyl-5-(2-methyl-4-pyridinyl)-2-[(1R)-2,2,2-trifluoro-1-(2-fluorophenyl)ethyl]imino-1,3-thiazolidin-4-one;5-methyl-2-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one
PubChem CID157130728
Molecular FormulaC133H137F14N23O12S11
Molecular Weight2868.42 g/mol
Exact Mass2865.75
IUPAC Name8-amino-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-1-thia-3-azaspiro[4.5]decan-4-one;5-(2-amino-4-pyridinyl)-2-[(1S)-1-(2,4-difluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(2-methyl-4-pyridinyl)-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-8-methyl-1-thia-3-azaspiro[4.5]decan-4-one;5-methyl-5-(2-methyl-4-pyridinyl)-2-[(1R)-2,2,2-trifluoro-1-(2-fluorophenyl)ethyl]imino-1,3-thiazolidin-4-one;5-methyl-2-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one
SMILESCC1CCC2(CC1)S/C(=N\[C@@H](C)c1ccccc1F)NC2=O.C[C@H](/N=C1/NC(=O)C(C)(c2ccc(S(C)(=O)=O)cc2)S1)c1ccccc1F.C[C@H](/N=C1/NC(=O)C(C)(c2ccnc(N)c2)S1)c1ccc(F)cc1F.C[C@H](/N=C1/NC(=O)C2(CCC(N)CC2)S1)c1ccccc1F.C[C@H](/N=C1\NC(=O)C(C)(C(F)(F)F)S1)c1nccs1.C[C@H](/N=C1\NC(=O)C(C)(c2ccc(S(N)(=O)=O)cc2)S1)c1ccccc1F.Cc1cc(C2(C)S/C(=N\[C@@H](C)c3ccccc3F)NC2=O)ccn1.Cc1cc(C2(C)S/C(=N\[C@H](c3ccccc3F)C(F)(F)F)NC2=O)ccn1
InChIInChI=1S/C19H19FN2O3S2.C18H15F4N3OS.C18H18FN3O3S2.C18H18FN3OS.C17H16F2N4OS.C17H21FN2OS.C16H20FN3OS.C10H10F3N3OS2/c1-12(15-6-4-5-7-16(15)20)21-18-22-17(23)19(2,26-18)13-8-10-14(11-9-13)27(3,24)25;1-10-9-11(7-8-23-10)17(2)15(26)25-16(27-17)24-14(18(20,21)22)12-5-3-4-6-13(12)19;1-11(14-5-3-4-6-15(14)19)21-17-22-16(23)18(2,26-17)12-7-9-13(10-8-12)27(20,24)25;1-11-10-13(8-9-20-11)18(3)16(23)22-17(24-18)21-12(2)14-6-4-5-7-15(14)19;1-9(12-4-3-11(18)8-13(12)19)22-16-23-15(24)17(2,25-16)10-5-6-21-14(20)7-10;1-11-7-9-17(10-8-11)15(21)20-16(22-17)19-12(2)13-5-3-4-6-14(13)18;1-10(12-4-2-3-5-13(12)17)19-15-20-14(21)16(22-15)8-6-11(18)7-9-16;1-5(6-14-3-4-18-6)15-8-16-7(17)9(2,19-8)10(11,12)13/h4-12H,1-3H3,(H,21,22,23);3-9,14H,1-2H3,(H,24,25,26);3-11H,1-2H3,(H2,20,24,25)(H,21,22,23);4-10,12H,1-3H3,(H,21,22,23);3-9H,1-2H3,(H2,20,21)(H,22,23,24);3-6,11-12H,7-10H2,1-2H3,(H,19,20,21);2-5,10-11H,6-9,18H2,1H3,(H,19,20,21);3-5H,1-2H3,(H,15,16,17)/t12-,19?;14-,17?;11-,18?;12-,18?;9-,17?;11?,12-,17?;10-,11?,16?;5-,9?/m01000000/s1
InChIKeyAJAQUEFIBZBGQX-ZHJACFMHSA-N
XLogP26.77
TPSA529.58 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds23
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002868.42
LogP ≤ 526.77
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 8-amino-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-1-thia-3-azaspiro[4.5]decan-4-one;5-(2-amino-4-pyridinyl)-2-[(1S)-1-(2,4-difluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(2-methyl-4-pyridinyl)-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-8-methyl-1-thia-3-azaspiro[4.5]decan-4-one;5-methyl-5-(2-methyl-4-pyridinyl)-2-[(1R)-2,2,2-trifluoro-1-(2-fluorophenyl)ethyl]imino-1,3-thiazolidin-4-one;5-methyl-2-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-4-[[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]methyl]-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-(cyclohexylamino)-4-methyl-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[(3,3-difluorocyclohexyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;5-[6-[(4-fluoro-4-methylcyclohexyl)amino]-4-methyl-3-pyridinyl]-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide;4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide
CID 157229357
Bis(2-[1-(benzenesulfonyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-b]pyridin-3-yl]-4-(trifluoromethyl)-1,3-thiazole);4-[1-(benzenesulfonyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-one;1-methylpiperazine
CID 158151271
Bis(2-[1-(benzenesulfonyl)-5-(4-pyrrolidin-1-ylcyclohexyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(trifluoromethyl)-1,3-thiazole);4-[1-(benzenesulfonyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-one;pyrrolidine
CID 159592112
(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-4-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(1S,2S,5R)-3-(4-fluorophenyl)sulfonyl-N-[[2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 160965132
bis(1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-2-[4-(trifluoromethyl)cyclohexyl]-4-pyridinyl]propan-1-one);1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-yl]propan-1-one;1-[(2S,5R)-1-(4-fluorophenyl)sulfonyl-5-(trifluoromethyl)pyrrolidin-2-yl]-3-[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]propan-1-one
CID 161263898
4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]piperidin-4-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-4-[2-(5-fluoro-2-methylindol-1-yl)acetyl]-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-fluoro-4-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;molecular hydrogen
CID 162003320
(2S,4R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluoro-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)-1,3-thiazol-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 163785872
4-[1-(Benzenesulfonyl)-3-[2-(1-methylpyrrolidin-2-yl)-1,3-thiazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-one;bis(4-[1-(benzenesulfonyl)-5-(4-pyrrolidin-1-ylcyclohexyl)pyrrolo[2,3-b]pyridin-3-yl]-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole);pyrrolidine
CID 157345694
N-[5-(amino-methylidene-oxo-lambda6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-2-[4-(2,5-difluorophenyl)phenyl]-N-methylacetamide;N-[5-(amino-methylidene-oxo-lambda6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-lambda6-sulfanyl)-1,3-thiazol-2-yl]acetamide;methane;N-methyl-N-[4-methyl-5-(methyl-methylidene-oxo-lambda6-sulfanyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide
CID 157576361
4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[(3S)-3-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-oxopyrrolidin-1-yl]benzenesulfinate;4-[3-[(2-methylphenyl)methylamino]-2-oxopyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-[4-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperazin-1-yl]benzenesulfinate;molecular hydrogen;pyrimidin-4-amine;1,3-thiazol-2-amine
CID 157863857
N-[5-(amino-methylidene-oxo-lambda6-sulfanyl)-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]acetamide;N-[5-[[(4-ethylphenyl)methylamino]sulfonimidoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-[5-[(4-ethylphenyl)methylsulfinamoyl]-4-methyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide;N-methyl-N-[4-methyl-5-[methyl(methylidene)-lambda4-sulfanyl]-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide
CID 158288328
Bis(4-[1-(benzenesulfonyl)-5-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-b]pyridin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-thiazole);4-[1-(benzenesulfonyl)-3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-one;1-methylpiperazine
CID 159402065

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-1-thia-3-azaspiro[4.5]decan-4-one;5-(2-amino-4-pyridinyl)-2-[(1S)-1-(2,4-difluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(2-methyl-4-pyridinyl)-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-8-methyl-1-thia-3-azaspiro[4.5]decan-4-one;5-methyl-5-(2-methyl-4-pyridinyl)-2-[(1R)-2,2,2-trifluoro-1-(2-fluorophenyl)ethyl]imino-1,3-thiazolidin-4-one;5-methyl-2-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 8-amino-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-1-thia-3-azaspiro[4.5]decan-4-one;5-(2-amino-4-pyridinyl)-2-[(1S)-1-(2,4-difluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(2-methyl-4-pyridinyl)-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-8-methyl-1-thia-3-azaspiro[4.5]decan-4-one;5-methyl-5-(2-methyl-4-pyridinyl)-2-[(1R)-2,2,2-trifluoro-1-(2-fluorophenyl)ethyl]imino-1,3-thiazolidin-4-one;5-methyl-2-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one (CID 157130728) is 8-amino-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-1-thia-3-azaspiro[4.5]decan-4-one;5-(2-amino-4-pyridinyl)-2-[(1S)-1-(2,4-difluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(2-methyl-4-pyridinyl)-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-8-methyl-1-thia-3-azaspiro[4.5]decan-4-one;5-methyl-5-(2-methyl-4-pyridinyl)-2-[(1R)-2,2,2-trifluoro-1-(2-fluorophenyl)ethyl]imino-1,3-thiazolidin-4-one;5-methyl-2-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 8-amino-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-1-thia-3-azaspiro[4.5]decan-4-one;5-(2-amino-4-pyridinyl)-2-[(1S)-1-(2,4-difluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(2-methyl-4-pyridinyl)-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-8-methyl-1-thia-3-azaspiro[4.5]decan-4-one;5-methyl-5-(2-methyl-4-pyridinyl)-2-[(1R)-2,2,2-trifluoro-1-(2-fluorophenyl)ethyl]imino-1,3-thiazolidin-4-one;5-methyl-2-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 8-amino-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-1-thia-3-azaspiro[4.5]decan-4-one;5-(2-amino-4-pyridinyl)-2-[(1S)-1-(2,4-difluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(2-methyl-4-pyridinyl)-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-8-methyl-1-thia-3-azaspiro[4.5]decan-4-one;5-methyl-5-(2-methyl-4-pyridinyl)-2-[(1R)-2,2,2-trifluoro-1-(2-fluorophenyl)ethyl]imino-1,3-thiazolidin-4-one;5-methyl-2-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one is CC1CCC2(CC1)S/C(=N\[C@@H](C)c1ccccc1F)NC2=O.C[C@H](/N=C1/NC(=O)C(C)(c2ccc(S(C)(=O)=O)cc2)S1)c1ccccc1F.C[C@H](/N=C1/NC(=O)C(C)(c2ccnc(N)c2)S1)c1ccc(F)cc1F.C[C@H](/N=C1/NC(=O)C2(CCC(N)CC2)S1)c1ccccc1F.C[C@H](/N=C1\NC(=O)C(C)(C(F)(F)F)S1)c1nccs1.C[C@H](/N=C1\NC(=O)C(C)(c2ccc(S(N)(=O)=O)cc2)S1)c1ccccc1F.Cc1cc(C2(C)S/C(=N\[C@@H](C)c3ccccc3F)NC2=O)ccn1.Cc1cc(C2(C)S/C(=N\[C@H](c3ccccc3F)C(F)(F)F)NC2=O)ccn1.
What is the InChIKey of 8-amino-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-1-thia-3-azaspiro[4.5]decan-4-one;5-(2-amino-4-pyridinyl)-2-[(1S)-1-(2,4-difluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(2-methyl-4-pyridinyl)-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-8-methyl-1-thia-3-azaspiro[4.5]decan-4-one;5-methyl-5-(2-methyl-4-pyridinyl)-2-[(1R)-2,2,2-trifluoro-1-(2-fluorophenyl)ethyl]imino-1,3-thiazolidin-4-one;5-methyl-2-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
The InChIKey is AJAQUEFIBZBGQX-ZHJACFMHSA-N. The full InChI is InChI=1S/C19H19FN2O3S2.C18H15F4N3OS.C18H18FN3O3S2.C18H18FN3OS.C17H16F2N4OS.C17H21FN2OS.C16H20FN3OS.C10H10F3N3OS2/c1-12(15-6-4-5-7-16(15)20)21-18-22-17(23)19(2,26-18)13-8-10-14(11-9-13)27(3,24)25;1-10-9-11(7-8-23-10)17(2)15(26)25-16(27-17)24-14(18(20,21)22)12-5-3-4-6-13(12)19;1-11(14-5-3-4-6-15(14)19)21-17-22-16(23)18(2,26-17)12-7-9-13(10-8-12)27(20,24)25;1-11-10-13(8-9-20-11)18(3)16(23)22-17(24-18)21-12(2)14-6-4-5-7-15(14)19;1-9(12-4-3-11(18)8-13(12)19)22-16-23-15(24)17(2,25-16)10-5-6-21-14(20)7-10;1-11-7-9-17(10-8-11)15(21)20-16(22-17)19-12(2)13-5-3-4-6-14(13)18;1-10(12-4-2-3-5-13(12)17)19-15-20-14(21)16(22-15)8-6-11(18)7-9-16;1-5(6-14-3-4-18-6)15-8-16-7(17)9(2,19-8)10(11,12)13/h4-12H,1-3H3,(H,21,22,23);3-9,14H,1-2H3,(H,24,25,26);3-11H,1-2H3,(H2,20,24,25)(H,21,22,23);4-10,12H,1-3H3,(H,21,22,23);3-9H,1-2H3,(H2,20,21)(H,22,23,24);3-6,11-12H,7-10H2,1-2H3,(H,19,20,21);2-5,10-11H,6-9,18H2,1H3,(H,19,20,21);3-5H,1-2H3,(H,15,16,17)/t12-,19?;14-,17?;11-,18?;12-,18?;9-,17?;11?,12-,17?;10-,11?,16?;5-,9?/m01000000/s1.
What are the key properties of 8-amino-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-1-thia-3-azaspiro[4.5]decan-4-one;5-(2-amino-4-pyridinyl)-2-[(1S)-1-(2,4-difluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(2-methyl-4-pyridinyl)-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-8-methyl-1-thia-3-azaspiro[4.5]decan-4-one;5-methyl-5-(2-methyl-4-pyridinyl)-2-[(1R)-2,2,2-trifluoro-1-(2-fluorophenyl)ethyl]imino-1,3-thiazolidin-4-one;5-methyl-2-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one?
8-amino-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-1-thia-3-azaspiro[4.5]decan-4-one;5-(2-amino-4-pyridinyl)-2-[(1S)-1-(2,4-difluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(2-methyl-4-pyridinyl)-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-8-methyl-1-thia-3-azaspiro[4.5]decan-4-one;5-methyl-5-(2-methyl-4-pyridinyl)-2-[(1R)-2,2,2-trifluoro-1-(2-fluorophenyl)ethyl]imino-1,3-thiazolidin-4-one;5-methyl-2-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one has a molecular weight of 2868.42 g/mol, XLogP of 26.77, 23 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-[(1S)-1-(2-fluorophenyl)ethyl]imino-1-thia-3-azaspiro[4.5]decan-4-one;5-(2-amino-4-pyridinyl)-2-[(1S)-1-(2,4-difluorophenyl)ethyl]imino-5-methyl-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(2-methyl-4-pyridinyl)-1,3-thiazolidin-4-one;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-5-(4-methylsulfonylphenyl)-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide;2-[(1S)-1-(2-fluorophenyl)ethyl]imino-8-methyl-1-thia-3-azaspiro[4.5]decan-4-one;5-methyl-5-(2-methyl-4-pyridinyl)-2-[(1R)-2,2,2-trifluoro-1-(2-fluorophenyl)ethyl]imino-1,3-thiazolidin-4-one;5-methyl-2-[(1S)-1-(1,3-thiazol-2-yl)ethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 157130728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).