4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione

C17H16N2O2S — CID 11666764

IUPAC4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(CCc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C17H16N2O2S/c20-16-18(13-15-9-5-2-6-10-15)17(21)22-19(16)12-11-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyWXOXHAZJXDYBOQ-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.36
Rot. Bonds5

About 4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione

4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione (PubChem CID 11666764) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione.

Molecular Properties

Compound Name4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione
PubChem CID11666764
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione
SMILESO=c1sn(CCc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C17H16N2O2S/c20-16-18(13-15-9-5-2-6-10-15)17(21)22-19(16)12-11-14-7-3-1-4-8-14/h1-10H,11-13H2
InChIKeyWXOXHAZJXDYBOQ-UHFFFAOYSA-N
XLogP2.36
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-benzyl-2-(2-phenylethyl)-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 4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione?
The IUPAC name of 4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione (CID 11666764) is 4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione.
What is the SMILES notation for 4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione?
The canonical SMILES for 4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione is O=c1sn(CCc2ccccc2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione?
The InChIKey is WXOXHAZJXDYBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c20-16-18(13-15-9-5-2-6-10-15)17(21)22-19(16)12-11-14-7-3-1-4-8-14/h1-10H,11-13H2.
What are the key properties of 4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione?
4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione has a molecular weight of 312.39 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(2-phenylethyl)-1,2,4-thiadiazolidine-3,5-dione is sourced from PubChem (CID 11666764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).