(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione

C24H15Cl2NO3S — CID 11754368

About (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione

(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione (PubChem CID 11754368) has the molecular formula C24H15Cl2NO3S and a molecular weight of 468.36 g/mol. Its IUPAC name is (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione
• PubChem CID: 11754368
• Molecular Formula: C24H15Cl2NO3S
• Molecular Weight: 468.36 g/mol
• Exact Mass: 467.01
• IUPAC Name: (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione
• SMILES: O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O)c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C24H15Cl2NO3S/c25-19-11-10-18(20(26)13-19)12-22-23(29)27(24(30)31-22)14-21(28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2/b22-12+
• InChIKey: HWTUNBIUIJFKJK-WSDLNYQXSA-N
• XLogP: 6.58
• TPSA: 54.45 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.36
LogP ≤ 5	6.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione (CID 11754368) is (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione is O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O)c1ccc(-c2ccccc2)cc1.

What is the InChIKey of (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione?

The InChIKey is HWTUNBIUIJFKJK-WSDLNYQXSA-N. The full InChI is InChI=1S/C24H15Cl2NO3S/c25-19-11-10-18(20(26)13-19)12-22-23(29)27(24(30)31-22)14-21(28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13H,14H2/b22-12+.

What are the key properties of (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione?

(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 468.36 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-[(2,4-dichlorophenyl)methylidene]-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 11754368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).