2-(4-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione

C15H10Cl2N2O2S — CID 70925941

IUPAC2-(4-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2ccc(Cl)cc2)c(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N2O2S/c16-11-3-1-10(2-4-11)9-18-14(20)19(22-15(18)21)13-7-5-12(17)6-8-13/h1-8H,9H2
InChIKeyDJTQBAVTHGTRKW-UHFFFAOYSA-N
MW353.23 g/mol
LogP3.42
Rot. Bonds3

About 2-(4-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione

2-(4-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 70925941) has the molecular formula C15H10Cl2N2O2S and a molecular weight of 353.23 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
PubChem CID70925941
Molecular FormulaC15H10Cl2N2O2S
Molecular Weight353.23 g/mol
Exact Mass351.98
IUPAC Name2-(4-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(-c2ccc(Cl)cc2)c(=O)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl2N2O2S/c16-11-3-1-10(2-4-11)9-18-14(20)19(22-15(18)21)13-7-5-12(17)6-8-13/h1-8H,9H2
InChIKeyDJTQBAVTHGTRKW-UHFFFAOYSA-N
XLogP3.42
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-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 2-(4-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 2-(4-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione (CID 70925941) is 2-(4-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione is O=c1sn(-c2ccc(Cl)cc2)c(=O)n1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is DJTQBAVTHGTRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2S/c16-11-3-1-10(2-4-11)9-18-14(20)19(22-15(18)21)13-7-5-12(17)6-8-13/h1-8H,9H2.
What are the key properties of 2-(4-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione?
2-(4-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 353.23 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 70925941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).