2,4,4,5-tetraphenyl-1,2,5-thiadiazolidin-3-one

C26H20N2OS — CID 606765

IUPAC2,4,4,5-tetraphenyl-1,2,5-thiadiazolidin-3-one
SMILESO=C1N(c2ccccc2)SN(c2ccccc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20N2OS/c29-25-26(21-13-5-1-6-14-21,22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)30-27(25)23-17-9-3-10-18-23/h1-20H
InChIKeyGECLJFLBLOFNLP-UHFFFAOYSA-N
MW408.53 g/mol
LogP6.05
Rot. Bonds4

About 2,4,4,5-tetraphenyl-1,2,5-thiadiazolidin-3-one

2,4,4,5-tetraphenyl-1,2,5-thiadiazolidin-3-one (PubChem CID 606765) has the molecular formula C26H20N2OS and a molecular weight of 408.53 g/mol. Its IUPAC name is 2,4,4,5-tetraphenyl-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name2,4,4,5-tetraphenyl-1,2,5-thiadiazolidin-3-one
PubChem CID606765
Molecular FormulaC26H20N2OS
Molecular Weight408.53 g/mol
Exact Mass408.13
IUPAC Name2,4,4,5-tetraphenyl-1,2,5-thiadiazolidin-3-one
SMILESO=C1N(c2ccccc2)SN(c2ccccc2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20N2OS/c29-25-26(21-13-5-1-6-14-21,22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)30-27(25)23-17-9-3-10-18-23/h1-20H
InChIKeyGECLJFLBLOFNLP-UHFFFAOYSA-N
XLogP6.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.53
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4,4,5-tetraphenyl-1,2,5-thiadiazolidin-3-one 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 2,4,4,5-tetraphenyl-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 2,4,4,5-tetraphenyl-1,2,5-thiadiazolidin-3-one (CID 606765) is 2,4,4,5-tetraphenyl-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 2,4,4,5-tetraphenyl-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 2,4,4,5-tetraphenyl-1,2,5-thiadiazolidin-3-one is O=C1N(c2ccccc2)SN(c2ccccc2)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,4,4,5-tetraphenyl-1,2,5-thiadiazolidin-3-one?
The InChIKey is GECLJFLBLOFNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2OS/c29-25-26(21-13-5-1-6-14-21,22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)30-27(25)23-17-9-3-10-18-23/h1-20H.
What are the key properties of 2,4,4,5-tetraphenyl-1,2,5-thiadiazolidin-3-one?
2,4,4,5-tetraphenyl-1,2,5-thiadiazolidin-3-one has a molecular weight of 408.53 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5-tetraphenyl-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 606765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).