3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione

C9H6ClNO2S — CID 4135812

IUPAC3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1c1ccccc1Cl
InChIInChI=1S/C9H6ClNO2S/c10-6-3-1-2-4-7(6)11-8(12)5-14-9(11)13/h1-4H,5H2
InChIKeyHSIPWRGYFQUTDR-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.54
Rot. Bonds1

About 3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione

3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 4135812) has the molecular formula C9H6ClNO2S and a molecular weight of 227.67 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
PubChem CID4135812
Molecular FormulaC9H6ClNO2S
Molecular Weight227.67 g/mol
Exact Mass226.98
IUPAC Name3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1c1ccccc1Cl
InChIInChI=1S/C9H6ClNO2S/c10-6-3-1-2-4-7(6)11-8(12)5-14-9(11)13/h1-4H,5H2
InChIKeyHSIPWRGYFQUTDR-UHFFFAOYSA-N
XLogP2.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione 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

1-(2-chlorophenyl)-3,4-dihydroquinoxalin-2-one
CID 117006502
1-(2-chlorophenyl)-3-phenylpyrrolidine-2,5-dione
CID 121238704
(5S)-3-(2-chlorophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 101352972
3-(2-chlorophenyl)-5,5-dimethyl-1,3-oxazinane-2,4-dione
CID 56693031
(3aR,5R,6S,7aR)-5,6-dibromo-2-(2-chlorophenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7115541
(15R,19R)-17-(2-chlorophenyl)-1,8-dimethyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 40573589
(1S,2R,6R,7S)-4-(2-chlorophenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 124720573
(5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126059113
3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4098918
2-(2-chlorophenyl)pyrazolidin-3-one
CID 83531467
3-[(2-amino-6-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 63745600
6-(2-chlorophenyl)-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
CID 3602141

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione (CID 4135812) is 3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is HSIPWRGYFQUTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2S/c10-6-3-1-2-4-7(6)11-8(12)5-14-9(11)13/h1-4H,5H2.
What are the key properties of 3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione?
3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 227.67 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 4135812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).