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

C12H12ClNO3S2 — CID 43359264

IUPAC3-[2-(2-chlorophenyl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)CSc1ccccc1Cl
InChIInChI=1S/C12H12ClNO3S2/c13-8-3-1-2-4-10(8)19-6-11(15)14-7-18-5-9(14)12(16)17/h1-4,9H,5-7H2,(H,16,17)
InChIKeyAKRPSXPNMSVTAN-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.42
Rot. Bonds4

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

3-[2-(2-chlorophenyl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43359264) has the molecular formula C12H12ClNO3S2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID43359264
Molecular FormulaC12H12ClNO3S2
Molecular Weight317.82 g/mol
Exact Mass316.99
IUPAC Name3-[2-(2-chlorophenyl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)CSc1ccccc1Cl
InChIInChI=1S/C12H12ClNO3S2/c13-8-3-1-2-4-10(8)19-6-11(15)14-7-18-5-9(14)12(16)17/h1-4,9H,5-7H2,(H,16,17)
InChIKeyAKRPSXPNMSVTAN-UHFFFAOYSA-N
XLogP2.42
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(2-chlorophenyl)sulfanylacetyl]-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

(2S,4S)-1-[2-(2-chlorophenyl)sulfanylacetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712988
(4R)-3-(3-phenylsulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143162
(4R)-3-[3-(4-chlorophenyl)sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144837
(4R)-3-[2-[2-(carboxymethylsulfanyl)phenyl]propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 70477952
3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 24700572
3-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359333
3-(2-hydroxy-2-phenylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 43809178
(4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 55083785
(2R)-1-[2-(2-chlorophenyl)sulfanylacetyl]piperidine-2-carboxamide
CID 9199923
(4R)-3-(2-chloroacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 93494384
3-[2-(4-ethoxyphenyl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359228
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-(2-chlorophenyl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid (CID 43359264) is 3-[2-(2-chlorophenyl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-(2-chlorophenyl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-(2-chlorophenyl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)CSc1ccccc1Cl.
What is the InChIKey of 3-[2-(2-chlorophenyl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is AKRPSXPNMSVTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S2/c13-8-3-1-2-4-10(8)19-6-11(15)14-7-18-5-9(14)12(16)17/h1-4,9H,5-7H2,(H,16,17).
What are the key properties of 3-[2-(2-chlorophenyl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid?
3-[2-(2-chlorophenyl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 317.82 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)sulfanylacetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43359264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).