(4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid

C12H12ClNO3S — CID 55083785

IUPAC(4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H12ClNO3S/c13-9-3-1-2-8(4-9)5-11(15)14-7-18-6-10(14)12(16)17/h1-4,10H,5-7H2,(H,16,17)/t10-/m0/s1
InChIKeyPYDFKETXIAZGTM-JTQLQIEISA-N
MW285.75 g/mol
LogP1.87
Rot. Bonds3

About (4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55083785) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is (4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID55083785
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC Name(4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C12H12ClNO3S/c13-9-3-1-2-8(4-9)5-11(15)14-7-18-6-10(14)12(16)17/h1-4,10H,5-7H2,(H,16,17)/t10-/m0/s1
InChIKeyPYDFKETXIAZGTM-JTQLQIEISA-N
XLogP1.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid 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

(4R)-3-[2-(3-methylphenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 53211524
3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62533279
(2R,4R)-1-[2-(3-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000883
1-[2-(3-chlorophenyl)acetyl]-4-ethylpiperidine-2-carboxylic acid
CID 114426986
3-[2-(3-chlorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63779623
3-[2-(3-chlorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359196
3-(3-aminopropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61157082
(4R)-3-[3-(4-chlorophenyl)sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144837
3-[2-(2-chlorophenyl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359264
(4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 93494384
(4S)-N-tert-butyl-3-(2-phenylacetyl)-1,3-thiazolidine-4-carboxamide
CID 95206426
2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid
CID 62505452

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 55083785) is (4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of (4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is PYDFKETXIAZGTM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12ClNO3S/c13-9-3-1-2-8(4-9)5-11(15)14-7-18-6-10(14)12(16)17/h1-4,10H,5-7H2,(H,16,17)/t10-/m0/s1.
What are the key properties of (4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 285.75 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55083785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).