(2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

C21H22ClFN2O2S — CID 1195491

IUPAC(2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CNC(=O)[C@H]1CS[C@@H](c2ccc(F)cc2)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClFN2O2S/c1-13(2)11-24-19(26)18-12-28-21(15-5-9-17(23)10-6-15)25(18)20(27)14-3-7-16(22)8-4-14/h3-10,13,18,21H,11-12H2,1-2H3,(H,24,26)/t18-,21+/m1/s1
InChIKeyCGNWJVAUJDKUBR-NQIIRXRSSA-N
MW420.94 g/mol
LogP4.51
Rot. Bonds5

About (2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

(2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 1195491) has the molecular formula C21H22ClFN2O2S and a molecular weight of 420.94 g/mol. Its IUPAC name is (2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID1195491
Molecular FormulaC21H22ClFN2O2S
Molecular Weight420.94 g/mol
Exact Mass420.11
IUPAC Name(2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CNC(=O)[C@H]1CS[C@@H](c2ccc(F)cc2)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H22ClFN2O2S/c1-13(2)11-24-19(26)18-12-28-21(15-5-9-17(23)10-6-15)25(18)20(27)14-3-7-16(22)8-4-14/h3-10,13,18,21H,11-12H2,1-2H3,(H,24,26)/t18-,21+/m1/s1
InChIKeyCGNWJVAUJDKUBR-NQIIRXRSSA-N
XLogP4.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4R)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 1195498
3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 3939901
3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 5164610
3-(4-methylbenzoyl)-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 42743968
ethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42727802
3-benzoyl-2-(furan-3-yl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745107
(2S,4R)-2-(4-fluorophenyl)-N-hexyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 7288637
2-(4-fluorophenyl)-3-(4-methylbenzoyl)-N-(2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 3997234
(2R,4R)-3-(2-chlorobenzoyl)-2-(4-fluorophenyl)-N-propyl-1,3-thiazolidine-4-carboxamide
CID 7215999
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 42745146
2-(3,4-dichlorophenyl)-3-(4-methylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744011
3-(4-chlorobenzoyl)-N-(1-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 3986866

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (CID 1195491) is (2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is CC(C)CNC(=O)[C@H]1CS[C@@H](c2ccc(F)cc2)N1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is CGNWJVAUJDKUBR-NQIIRXRSSA-N. The full InChI is InChI=1S/C21H22ClFN2O2S/c1-13(2)11-24-19(26)18-12-28-21(15-5-9-17(23)10-6-15)25(18)20(27)14-3-7-16(22)8-4-14/h3-10,13,18,21H,11-12H2,1-2H3,(H,24,26)/t18-,21+/m1/s1.
What are the key properties of (2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
(2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 420.94 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 1195491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).