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

C12H13ClN2O3S — CID 62533279

IUPAC3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O3S/c13-9-3-1-2-8(4-9)5-14-12(18)15-7-19-6-10(15)11(16)17/h1-4,10H,5-7H2,(H,14,18)(H,16,17)
InChIKeyYZJNGLUXUMVHCB-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.01
Rot. Bonds3

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

3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 62533279) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID62533279
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2O3S/c13-9-3-1-2-8(4-9)5-14-12(18)15-7-19-6-10(15)11(16)17/h1-4,10H,5-7H2,(H,14,18)(H,16,17)
InChIKeyYZJNGLUXUMVHCB-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3-chlorophenyl)methylcarbamoyl]-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-[(3-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61205375
(4R)-3-[2-(3-chlorophenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 55083785
(4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62315406
3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61204063
(4R)-3-(2-pyridin-3-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61203852
3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 65245298
(4R)-3-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 54963071
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
(4R)-3-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 106403333
3-[2-(3-chlorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359196
1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 86789165
N-[(3-chlorophenyl)methyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108898698

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 62533279) is 3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YZJNGLUXUMVHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c13-9-3-1-2-8(4-9)5-14-12(18)15-7-19-6-10(15)11(16)17/h1-4,10H,5-7H2,(H,14,18)(H,16,17).
What are the key properties of 3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 300.77 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 62533279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).