(5R)-2-[(1S)-1-(5-bromothiophen-2-yl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzonitrile;(5S)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;5-(1-hydroxycyclobutyl)-5-methyl-2-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5S)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;methyl 4-[[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate

C134H147BrF19N17O14S9 — CID 161115051

IUPAC(5R)-2-[(1S)-1-(5-bromothiophen-2-yl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzonitrile;(5S)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;5-(1-hydroxycyclobutyl)-5-methyl-2-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5S)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;methyl 4-[[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate
SMILESCC(C)[C@@]1(C)S/C(=N\[C@@H](C)c2ccc(Br)s2)NC1=O.CC1(C2(O)CCC2)S/C(=N/c2ccc([C@](C)(O)C(F)(F)F)cc2)NC1=O.COC(=O)c1ccc(CC2(C)S/C(=N\[C@@H](C)c3ccc(F)cc3)NC2=O)cc1.C[C@H](/N=C1/NC(=O)C(C)(c2ccc(C#N)cc2)S1)c1ccccc1F.C[C@H](/N=C1\NC(=O)[C@@](C)(C(C)(C)F)S1)c1ccccc1C(F)(F)F.C[C@H](/N=C1\NC(=O)[C@@](C)(C(C)(C)O)S1)c1ccccc1C(F)(F)F.C[C@H](/N=C1\NC(=O)[C@](C)(C(C)(C)F)S1)c1ccccc1C(F)(F)F.C[C@H](/N=C1\NC(=O)[C@](C)(C(C)(C)O)S1)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H21FN2O3S.C19H16FN3OS.C17H19F3N2O3S.2C16H18F4N2OS.2C16H19F3N2O2S.C13H17BrN2OS2/c1-13(15-8-10-17(22)11-9-15)23-20-24-19(26)21(2,28-20)12-14-4-6-16(7-5-14)18(25)27-3;1-12(15-5-3-4-6-16(15)20)22-18-23-17(24)19(2,25-18)14-9-7-13(11-21)8-10-14;1-14(24,17(18,19)20)10-4-6-11(7-5-10)21-13-22-12(23)15(2,26-13)16(25)8-3-9-16;2*1-9(10-7-5-6-8-11(10)16(18,19)20)21-13-22-12(23)15(4,24-13)14(2,3)17;2*1-9(10-7-5-6-8-11(10)16(17,18)19)20-13-21-12(22)15(4,24-13)14(2,3)23;1-7(2)13(4)11(17)16-12(19-13)15-8(3)9-5-6-10(14)18-9/h4-11,13H,12H2,1-3H3,(H,23,24,26);3-10,12H,1-2H3,(H,22,23,24);4-7,24-25H,3,8-9H2,1-2H3,(H,21,22,23);2*5-9H,1-4H3,(H,21,22,23);2*5-9,23H,1-4H3,(H,20,21,22);5-8H,1-4H3,(H,15,16,17)/t13-,21?;12-,19?;14-,15?;9-,15+;9-,15-;9-,15+;9-,15-;8-,13+/m00000000/s1
InChIKeyUKEZXIMKCGURNJ-QRWZLMCWSA-N
MW2949.22 g/mol
LogP30.99
Rot. Bonds26

About (5R)-2-[(1S)-1-(5-bromothiophen-2-yl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzonitrile;(5S)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;5-(1-hydroxycyclobutyl)-5-methyl-2-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5S)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;methyl 4-[[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate

(5R)-2-[(1S)-1-(5-bromothiophen-2-yl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzonitrile;(5S)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;5-(1-hydroxycyclobutyl)-5-methyl-2-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5S)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;methyl 4-[[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate (PubChem CID 161115051) has the molecular formula C134H147BrF19N17O14S9 and a molecular weight of 2949.22 g/mol. Its IUPAC name is (5R)-2-[(1S)-1-(5-bromothiophen-2-yl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzonitrile;(5S)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;5-(1-hydroxycyclobutyl)-5-methyl-2-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5S)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;methyl 4-[[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate.

Molecular Properties

Compound Name(5R)-2-[(1S)-1-(5-bromothiophen-2-yl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzonitrile;(5S)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;5-(1-hydroxycyclobutyl)-5-methyl-2-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5S)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;methyl 4-[[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate
PubChem CID161115051
Molecular FormulaC134H147BrF19N17O14S9
Molecular Weight2949.22 g/mol
Exact Mass2945.77
IUPAC Name(5R)-2-[(1S)-1-(5-bromothiophen-2-yl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzonitrile;(5S)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;5-(1-hydroxycyclobutyl)-5-methyl-2-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5S)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;methyl 4-[[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate
SMILESCC(C)[C@@]1(C)S/C(=N\[C@@H](C)c2ccc(Br)s2)NC1=O.CC1(C2(O)CCC2)S/C(=N/c2ccc([C@](C)(O)C(F)(F)F)cc2)NC1=O.COC(=O)c1ccc(CC2(C)S/C(=N\[C@@H](C)c3ccc(F)cc3)NC2=O)cc1.C[C@H](/N=C1/NC(=O)C(C)(c2ccc(C#N)cc2)S1)c1ccccc1F.C[C@H](/N=C1\NC(=O)[C@@](C)(C(C)(C)F)S1)c1ccccc1C(F)(F)F.C[C@H](/N=C1\NC(=O)[C@@](C)(C(C)(C)O)S1)c1ccccc1C(F)(F)F.C[C@H](/N=C1\NC(=O)[C@](C)(C(C)(C)F)S1)c1ccccc1C(F)(F)F.C[C@H](/N=C1\NC(=O)[C@](C)(C(C)(C)O)S1)c1ccccc1C(F)(F)F
InChIInChI=1S/C21H21FN2O3S.C19H16FN3OS.C17H19F3N2O3S.2C16H18F4N2OS.2C16H19F3N2O2S.C13H17BrN2OS2/c1-13(15-8-10-17(22)11-9-15)23-20-24-19(26)21(2,28-20)12-14-4-6-16(7-5-14)18(25)27-3;1-12(15-5-3-4-6-16(15)20)22-18-23-17(24)19(2,25-18)14-9-7-13(11-21)8-10-14;1-14(24,17(18,19)20)10-4-6-11(7-5-10)21-13-22-12(23)15(2,26-13)16(25)8-3-9-16;2*1-9(10-7-5-6-8-11(10)16(18,19)20)21-13-22-12(23)15(4,24-13)14(2,3)17;2*1-9(10-7-5-6-8-11(10)16(17,18)19)20-13-21-12(22)15(4,24-13)14(2,3)23;1-7(2)13(4)11(17)16-12(19-13)15-8(3)9-5-6-10(14)18-9/h4-11,13H,12H2,1-3H3,(H,23,24,26);3-10,12H,1-2H3,(H,22,23,24);4-7,24-25H,3,8-9H2,1-2H3,(H,21,22,23);2*5-9H,1-4H3,(H,21,22,23);2*5-9,23H,1-4H3,(H,20,21,22);5-8H,1-4H3,(H,15,16,17)/t13-,21?;12-,19?;14-,15?;9-,15+;9-,15-;9-,15+;9-,15-;8-,13+/m00000000/s1
InChIKeyUKEZXIMKCGURNJ-QRWZLMCWSA-N
XLogP30.99
TPSA462.69 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds26
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002949.22
LogP ≤ 530.99
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze (5R)-2-[(1S)-1-(5-bromothiophen-2-yl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzonitrile;(5S)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;5-(1-hydroxycyclobutyl)-5-methyl-2-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5S)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;methyl 4-[[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate with MolForge

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Related Compounds

methyl 4-[5-methyl-4-oxo-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-5-yl]benzoate
CID 135989744
methyl 4-[5-methyl-2-[(1S)-1-(4-methylphenyl)ethyl]imino-4-oxo-1,3-thiazolidin-5-yl]benzoate
CID 143467947
(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-(2-hydroxypropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
CID 135566449
2-[(1S)-1-(5-bromothiophen-2-yl)ethyl]imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 135611014
4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzenesulfonamide
CID 135989728
1-[4-[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]phenyl]cyclopropane-1-carboxamide
CID 135556845
5-methyl-2-[(1S)-1-phenylethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135513260
(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[[2-(trifluoromethyl)phenyl]methylimino]-1,3-thiazolidin-4-one
CID 162583178
(5S)-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-5-pyridin-2-yl-1,3-thiazolidin-4-one
CID 135989261
[(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]azanium
CID 143468171
(5R)-5-methyl-2-[(1S)-1-phenylethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one;(5S)-5-methyl-2-[(1S)-1-phenylethyl]imino-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 162136213
N-[1-(4-cyanophenyl)-3-methyl-1-oxobutan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 86293485

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(1S)-1-(5-bromothiophen-2-yl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzonitrile;(5S)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;5-(1-hydroxycyclobutyl)-5-methyl-2-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5S)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;methyl 4-[[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate?
The IUPAC name of (5R)-2-[(1S)-1-(5-bromothiophen-2-yl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzonitrile;(5S)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;5-(1-hydroxycyclobutyl)-5-methyl-2-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5S)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;methyl 4-[[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate (CID 161115051) is (5R)-2-[(1S)-1-(5-bromothiophen-2-yl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzonitrile;(5S)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;5-(1-hydroxycyclobutyl)-5-methyl-2-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5S)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;methyl 4-[[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate.
What is the SMILES notation for (5R)-2-[(1S)-1-(5-bromothiophen-2-yl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzonitrile;(5S)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;5-(1-hydroxycyclobutyl)-5-methyl-2-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5S)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;methyl 4-[[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate?
The canonical SMILES for (5R)-2-[(1S)-1-(5-bromothiophen-2-yl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzonitrile;(5S)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;5-(1-hydroxycyclobutyl)-5-methyl-2-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5S)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;methyl 4-[[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate is CC(C)[C@@]1(C)S/C(=N\[C@@H](C)c2ccc(Br)s2)NC1=O.CC1(C2(O)CCC2)S/C(=N/c2ccc([C@](C)(O)C(F)(F)F)cc2)NC1=O.COC(=O)c1ccc(CC2(C)S/C(=N\[C@@H](C)c3ccc(F)cc3)NC2=O)cc1.C[C@H](/N=C1/NC(=O)C(C)(c2ccc(C#N)cc2)S1)c1ccccc1F.C[C@H](/N=C1\NC(=O)[C@@](C)(C(C)(C)F)S1)c1ccccc1C(F)(F)F.C[C@H](/N=C1\NC(=O)[C@@](C)(C(C)(C)O)S1)c1ccccc1C(F)(F)F.C[C@H](/N=C1\NC(=O)[C@](C)(C(C)(C)F)S1)c1ccccc1C(F)(F)F.C[C@H](/N=C1\NC(=O)[C@](C)(C(C)(C)O)S1)c1ccccc1C(F)(F)F.
What is the InChIKey of (5R)-2-[(1S)-1-(5-bromothiophen-2-yl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzonitrile;(5S)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;5-(1-hydroxycyclobutyl)-5-methyl-2-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5S)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;methyl 4-[[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate?
The InChIKey is UKEZXIMKCGURNJ-QRWZLMCWSA-N. The full InChI is InChI=1S/C21H21FN2O3S.C19H16FN3OS.C17H19F3N2O3S.2C16H18F4N2OS.2C16H19F3N2O2S.C13H17BrN2OS2/c1-13(15-8-10-17(22)11-9-15)23-20-24-19(26)21(2,28-20)12-14-4-6-16(7-5-14)18(25)27-3;1-12(15-5-3-4-6-16(15)20)22-18-23-17(24)19(2,25-18)14-9-7-13(11-21)8-10-14;1-14(24,17(18,19)20)10-4-6-11(7-5-10)21-13-22-12(23)15(2,26-13)16(25)8-3-9-16;2*1-9(10-7-5-6-8-11(10)16(18,19)20)21-13-22-12(23)15(4,24-13)14(2,3)17;2*1-9(10-7-5-6-8-11(10)16(17,18)19)20-13-21-12(22)15(4,24-13)14(2,3)23;1-7(2)13(4)11(17)16-12(19-13)15-8(3)9-5-6-10(14)18-9/h4-11,13H,12H2,1-3H3,(H,23,24,26);3-10,12H,1-2H3,(H,22,23,24);4-7,24-25H,3,8-9H2,1-2H3,(H,21,22,23);2*5-9H,1-4H3,(H,21,22,23);2*5-9,23H,1-4H3,(H,20,21,22);5-8H,1-4H3,(H,15,16,17)/t13-,21?;12-,19?;14-,15?;9-,15+;9-,15-;9-,15+;9-,15-;8-,13+/m00000000/s1.
What are the key properties of (5R)-2-[(1S)-1-(5-bromothiophen-2-yl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzonitrile;(5S)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;5-(1-hydroxycyclobutyl)-5-methyl-2-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5S)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;methyl 4-[[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate?
(5R)-2-[(1S)-1-(5-bromothiophen-2-yl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzonitrile;(5S)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;5-(1-hydroxycyclobutyl)-5-methyl-2-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5S)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;methyl 4-[[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate has a molecular weight of 2949.22 g/mol, XLogP of 30.99, 26 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[(1S)-1-(5-bromothiophen-2-yl)ethyl]imino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]benzonitrile;(5S)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-fluoropropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;5-(1-hydroxycyclobutyl)-5-methyl-2-[4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]imino-1,3-thiazolidin-4-one;(5R)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;(5S)-5-(2-hydroxypropan-2-yl)-5-methyl-2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]imino-1,3-thiazolidin-4-one;methyl 4-[[2-[(1S)-1-(4-fluorophenyl)ethyl]imino-5-methyl-4-oxo-1,3-thiazolidin-5-yl]methyl]benzoate is sourced from PubChem (CID 161115051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).