(2S,4R)-N-(4-fluorophenyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide

C20H21FN2O2S — CID 7231990

IUPAC(2S,4R)-N-(4-fluorophenyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
SMILESCC(C)C(=O)N1[C@H](C(=O)Nc2ccc(F)cc2)CS[C@H]1c1ccccc1
InChIInChI=1S/C20H21FN2O2S/c1-13(2)19(25)23-17(12-26-20(23)14-6-4-3-5-7-14)18(24)22-16-10-8-15(21)9-11-16/h3-11,13,17,20H,12H2,1-2H3,(H,22,24)/t17-,20-/m0/s1
InChIKeySLYONDNCZGBDIO-PXNSSMCTSA-N
MW372.47 g/mol
LogP4.06
Rot. Bonds4

About (2S,4R)-N-(4-fluorophenyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide

(2S,4R)-N-(4-fluorophenyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide (PubChem CID 7231990) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is (2S,4R)-N-(4-fluorophenyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-(4-fluorophenyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
PubChem CID7231990
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC Name(2S,4R)-N-(4-fluorophenyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
SMILESCC(C)C(=O)N1[C@H](C(=O)Nc2ccc(F)cc2)CS[C@H]1c1ccccc1
InChIInChI=1S/C20H21FN2O2S/c1-13(2)19(25)23-17(12-26-20(23)14-6-4-3-5-7-14)18(24)22-16-10-8-15(21)9-11-16/h3-11,13,17,20H,12H2,1-2H3,(H,22,24)/t17-,20-/m0/s1
InChIKeySLYONDNCZGBDIO-PXNSSMCTSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-phenyl-3-(3,4,5-trimethoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3394328
(2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 7412355
2-methylpropyl (2R,4S)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 809698
2-(2-chlorophenyl)-N-(2-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 5217013
N-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 42748609
(2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7362578
(2S,4R)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7362577
3-(4-methoxybenzoyl)-N-(4-methylphenyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 4005541
butyl (2S,4S)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 7415567
N-benzhydryl-2-(4-fluorophenyl)-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 4679781
3-(2-fluorobenzoyl)-2-phenyl-N-(1-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744425
benzyl 4-(phenylcarbamoyl)-2-pyridin-4-yl-1,3-thiazolidine-3-carboxylate
CID 24954293

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-(4-fluorophenyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2S,4R)-N-(4-fluorophenyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide (CID 7231990) is (2S,4R)-N-(4-fluorophenyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2S,4R)-N-(4-fluorophenyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2S,4R)-N-(4-fluorophenyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide is CC(C)C(=O)N1[C@H](C(=O)Nc2ccc(F)cc2)CS[C@H]1c1ccccc1.
What is the InChIKey of (2S,4R)-N-(4-fluorophenyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is SLYONDNCZGBDIO-PXNSSMCTSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-13(2)19(25)23-17(12-26-20(23)14-6-4-3-5-7-14)18(24)22-16-10-8-15(21)9-11-16/h3-11,13,17,20H,12H2,1-2H3,(H,22,24)/t17-,20-/m0/s1.
What are the key properties of (2S,4R)-N-(4-fluorophenyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide?
(2S,4R)-N-(4-fluorophenyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(4-fluorophenyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 7231990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).