3-benzyl-5-(4-chloroanilino)-1,3-thiazolidine-2,4-dione

C16H13ClN2O2S — CID 2910124

IUPAC3-benzyl-5-(4-chloroanilino)-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(Nc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C16H13ClN2O2S/c17-12-6-8-13(9-7-12)18-14-15(20)19(16(21)22-14)10-11-4-2-1-3-5-11/h1-9,14,18H,10H2
InChIKeyCTSLWDLUNCRRHR-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.97
Rot. Bonds4

About 3-benzyl-5-(4-chloroanilino)-1,3-thiazolidine-2,4-dione

3-benzyl-5-(4-chloroanilino)-1,3-thiazolidine-2,4-dione (PubChem CID 2910124) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 3-benzyl-5-(4-chloroanilino)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-(4-chloroanilino)-1,3-thiazolidine-2,4-dione
PubChem CID2910124
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name3-benzyl-5-(4-chloroanilino)-1,3-thiazolidine-2,4-dione
SMILESO=C1SC(Nc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C16H13ClN2O2S/c17-12-6-8-13(9-7-12)18-14-15(20)19(16(21)22-14)10-11-4-2-1-3-5-11/h1-9,14,18H,10H2
InChIKeyCTSLWDLUNCRRHR-UHFFFAOYSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-benzyl-5-(4-chloroanilino)-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 3-benzyl-5-(4-chloroanilino)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-benzyl-5-(4-chloroanilino)-1,3-thiazolidine-2,4-dione (CID 2910124) is 3-benzyl-5-(4-chloroanilino)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-(4-chloroanilino)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-benzyl-5-(4-chloroanilino)-1,3-thiazolidine-2,4-dione is O=C1SC(Nc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-(4-chloroanilino)-1,3-thiazolidine-2,4-dione?
The InChIKey is CTSLWDLUNCRRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c17-12-6-8-13(9-7-12)18-14-15(20)19(16(21)22-14)10-11-4-2-1-3-5-11/h1-9,14,18H,10H2.
What are the key properties of 3-benzyl-5-(4-chloroanilino)-1,3-thiazolidine-2,4-dione?
3-benzyl-5-(4-chloroanilino)-1,3-thiazolidine-2,4-dione has a molecular weight of 332.81 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(4-chloroanilino)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2910124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).