5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

C11H10ClNO2S — CID 649174

IUPAC5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(CC2SC(=O)NC2=O)cc1Cl
InChIInChI=1S/C11H10ClNO2S/c1-6-2-3-7(4-8(6)12)5-9-10(14)13-11(15)16-9/h2-4,9H,5H2,1H3,(H,13,14,15)
InChIKeyOVBNKQLNCNMICZ-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.54
Rot. Bonds2

About 5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 649174) has the molecular formula C11H10ClNO2S and a molecular weight of 255.73 g/mol. Its IUPAC name is 5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID649174
Molecular FormulaC11H10ClNO2S
Molecular Weight255.73 g/mol
Exact Mass255.01
IUPAC Name5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(CC2SC(=O)NC2=O)cc1Cl
InChIInChI=1S/C11H10ClNO2S/c1-6-2-3-7(4-8(6)12)5-9-10(14)13-11(15)16-9/h2-4,9H,5H2,1H3,(H,13,14,15)
InChIKeyOVBNKQLNCNMICZ-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(3-chloro-4-methylphenyl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 649174) is 5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione is Cc1ccc(CC2SC(=O)NC2=O)cc1Cl.
What is the InChIKey of 5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is OVBNKQLNCNMICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2S/c1-6-2-3-7(4-8(6)12)5-9-10(14)13-11(15)16-9/h2-4,9H,5H2,1H3,(H,13,14,15).
What are the key properties of 5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione?
5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 255.73 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 649174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).