(2S,4S)-3-benzoyl-N-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide

C25H21F3N2O2S — CID 93097515

IUPAC(2S,4S)-3-benzoyl-N-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CS[C@@H](c2ccc(C(F)(F)F)cc2)N1C(=O)c1ccccc1
InChIInChI=1S/C25H21F3N2O2S/c26-25(27,28)20-13-11-19(12-14-20)24-30(23(32)18-9-5-2-6-10-18)21(16-33-24)22(31)29-15-17-7-3-1-4-8-17/h1-14,21,24H,15-16H2,(H,29,31)/t21-,24+/m1/s1
InChIKeyHWXZHGPEEZWJGH-QPPBQGQZSA-N
MW470.52 g/mol
LogP5.28
Rot. Bonds5

About (2S,4S)-3-benzoyl-N-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide

(2S,4S)-3-benzoyl-N-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 93097515) has the molecular formula C25H21F3N2O2S and a molecular weight of 470.52 g/mol. Its IUPAC name is (2S,4S)-3-benzoyl-N-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-3-benzoyl-N-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID93097515
Molecular FormulaC25H21F3N2O2S
Molecular Weight470.52 g/mol
Exact Mass470.13
IUPAC Name(2S,4S)-3-benzoyl-N-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CS[C@@H](c2ccc(C(F)(F)F)cc2)N1C(=O)c1ccccc1
InChIInChI=1S/C25H21F3N2O2S/c26-25(27,28)20-13-11-19(12-14-20)24-30(23(32)18-9-5-2-6-10-18)21(16-33-24)22(31)29-15-17-7-3-1-4-8-17/h1-14,21,24H,15-16H2,(H,29,31)/t21-,24+/m1/s1
InChIKeyHWXZHGPEEZWJGH-QPPBQGQZSA-N
XLogP5.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.52
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-benzoyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylate
CID 42729596
3-(4-methylbenzoyl)-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 42743968
3-(4-chlorobenzoyl)-N-(1-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 3986866
2-(4-tert-butylphenyl)-3-(4-fluorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 3976969
(2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 93097559
N-benzyl-2-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42748764
(2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 1198786
2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 42727751
N-(1-benzylpiperidin-4-yl)-2-(4-tert-butylphenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3439892
N-benzyl-3-(2-chlorobenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42748496
3-benzoyl-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748301
methyl 2-(4-fluorophenyl)-3-[3-(trifluoromethyl)benzoyl]-1,3-thiazolidine-4-carboxylate
CID 42727904

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-3-benzoyl-N-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2S,4S)-3-benzoyl-N-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide (CID 93097515) is (2S,4S)-3-benzoyl-N-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-3-benzoyl-N-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2S,4S)-3-benzoyl-N-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide is O=C(NCc1ccccc1)[C@H]1CS[C@@H](c2ccc(C(F)(F)F)cc2)N1C(=O)c1ccccc1.
What is the InChIKey of (2S,4S)-3-benzoyl-N-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is HWXZHGPEEZWJGH-QPPBQGQZSA-N. The full InChI is InChI=1S/C25H21F3N2O2S/c26-25(27,28)20-13-11-19(12-14-20)24-30(23(32)18-9-5-2-6-10-18)21(16-33-24)22(31)29-15-17-7-3-1-4-8-17/h1-14,21,24H,15-16H2,(H,29,31)/t21-,24+/m1/s1.
What are the key properties of (2S,4S)-3-benzoyl-N-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide?
(2S,4S)-3-benzoyl-N-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 470.52 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-3-benzoyl-N-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 93097515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).