(2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide

C24H27FN2O2S — CID 1198786

IUPAC(2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)[C@H]1CS[C@H](C2CCCCC2)N1C(=O)c1ccccc1
InChIInChI=1S/C24H27FN2O2S/c25-20-13-11-17(12-14-20)15-26-22(28)21-16-30-24(19-9-5-2-6-10-19)27(21)23(29)18-7-3-1-4-8-18/h1,3-4,7-8,11-14,19,21,24H,2,5-6,9-10,15-16H2,(H,26,28)/t21-,24-/m1/s1
InChIKeyAQEGFLPVASREPB-ZJSXRUAMSA-N
MW426.56 g/mol
LogP4.61
Rot. Bonds5

About (2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide

(2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 1198786) has the molecular formula C24H27FN2O2S and a molecular weight of 426.56 g/mol. Its IUPAC name is (2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID1198786
Molecular FormulaC24H27FN2O2S
Molecular Weight426.56 g/mol
Exact Mass426.18
IUPAC Name(2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)[C@H]1CS[C@H](C2CCCCC2)N1C(=O)c1ccccc1
InChIInChI=1S/C24H27FN2O2S/c25-20-13-11-17(12-14-20)15-26-22(28)21-16-30-24(19-9-5-2-6-10-19)27(21)23(29)18-7-3-1-4-8-18/h1,3-4,7-8,11-14,19,21,24H,2,5-6,9-10,15-16H2,(H,26,28)/t21-,24-/m1/s1
InChIKeyAQEGFLPVASREPB-ZJSXRUAMSA-N
XLogP4.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-3-benzoyl-2-cyclohexyl-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7355982
2-cyclohexyl-3-(3-fluorobenzoyl)-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3912422
(2R,4R)-3-benzoyl-2-cyclohexyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 7216276
2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 5137356
(2R,4S)-2-cyclohexyl-3-(3-fluorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 7296665
2-cyclohexyl-N,N-diethyl-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744121
(2S,4S)-3-(3,5-dimethoxybenzoyl)-N-[(4-fluorophenyl)methyl]-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 93097559
3-(4-chlorobenzoyl)-2-cyclohexyl-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744137
(2S,4S)-3-benzoyl-N-benzyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 93097515
2-cyclohexyl-3-(4-methylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744153
N-[(4-fluorophenyl)methyl]-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748212
2-cyclohexyl-3-(4-methylbenzoyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 3334688

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide (CID 1198786) is (2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide is O=C(NCc1ccc(F)cc1)[C@H]1CS[C@H](C2CCCCC2)N1C(=O)c1ccccc1.
What is the InChIKey of (2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is AQEGFLPVASREPB-ZJSXRUAMSA-N. The full InChI is InChI=1S/C24H27FN2O2S/c25-20-13-11-17(12-14-20)15-26-22(28)21-16-30-24(19-9-5-2-6-10-19)27(21)23(29)18-7-3-1-4-8-18/h1,3-4,7-8,11-14,19,21,24H,2,5-6,9-10,15-16H2,(H,26,28)/t21-,24-/m1/s1.
What are the key properties of (2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide?
(2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-3-benzoyl-2-cyclohexyl-N-[(4-fluorophenyl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 1198786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).