(4R)-3-[2-(4-fluorophenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C13H15FN2O3S — CID 61181710

IUPAC(4R)-3-[2-(4-fluorophenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O3S/c14-10-3-1-9(2-4-10)5-6-15-13(19)16-8-20-7-11(16)12(17)18/h1-4,11H,5-8H2,(H,15,19)(H,17,18)/t11-/m0/s1
InChIKeyHSXRNJNWPXAUGB-NSHDSACASA-N
MW298.34 g/mol
LogP1.54
Rot. Bonds4

About (4R)-3-[2-(4-fluorophenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[2-(4-fluorophenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61181710) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is (4R)-3-[2-(4-fluorophenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[2-(4-fluorophenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61181710
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC Name(4R)-3-[2-(4-fluorophenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C13H15FN2O3S/c14-10-3-1-9(2-4-10)5-6-15-13(19)16-8-20-7-11(16)12(17)18/h1-4,11H,5-8H2,(H,15,19)(H,17,18)/t11-/m0/s1
InChIKeyHSXRNJNWPXAUGB-NSHDSACASA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Phenylethyl)-1,3-thiazolidine-4-carboxylic acid
CID 666161
2-(4-Fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2827731
2-(3-Fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 496375
N-[(2-fluorobenzyl)carbamoyl]-L-methionine
CID 664357
(S)-2-{3-[2-(2-Fluoro-phenyl)-ethyl]-ureido}-4-methylsulfanyl-butyric acid methyl ester
CID 2032939
(S)-2-(3-(4-fluorobenzyl)ureido)-4-(methylthio)butanoic acid
CID 664124
N-{[2-(4-fluorophenyl)ethyl]carbamoyl}-L-methionine
CID 664276
(S)-2-{3-[2-(4-Fluoro-phenyl)-ethyl]-ureido}-4-methylsulfanyl-butyric acid methyl ester
CID 2024504
(2R,4R)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 728172
(2RS,4R)-2-benzyl-4-thiazolidinecarboxylic acid
CID 11287511
(4R)-2-(2,3-difluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 54330427
2-(2-Fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 496374

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-(4-fluorophenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[2-(4-fluorophenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 61181710) is (4R)-3-[2-(4-fluorophenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[2-(4-fluorophenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[2-(4-fluorophenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of (4R)-3-[2-(4-fluorophenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HSXRNJNWPXAUGB-NSHDSACASA-N. The full InChI is InChI=1S/C13H15FN2O3S/c14-10-3-1-9(2-4-10)5-6-15-13(19)16-8-20-7-11(16)12(17)18/h1-4,11H,5-8H2,(H,15,19)(H,17,18)/t11-/m0/s1.
What are the key properties of (4R)-3-[2-(4-fluorophenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[2-(4-fluorophenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-(4-fluorophenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61181710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).