(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione

C25H20ClNO3S — CID 18836896

About (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione (PubChem CID 18836896) has the molecular formula C25H20ClNO3S and a molecular weight of 449.96 g/mol. Its IUPAC name is (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione
• PubChem CID: 18836896
• Molecular Formula: C25H20ClNO3S
• Molecular Weight: 449.96 g/mol
• Exact Mass: 449.09
• IUPAC Name: (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione
• SMILES: CCc1ccccc1N1C(=O)S/C(=C\c2ccccc2OCc2ccccc2Cl)C1=O
• InChI: InChI=1S/C25H20ClNO3S/c1-2-17-9-4-7-13-21(17)27-24(28)23(31-25(27)29)15-18-10-5-8-14-22(18)30-16-19-11-3-6-12-20(19)26/h3-15H,2,16H2,1H3/b23-15-
• InChIKey: GWFMQDSJNLRBSI-HAHDFKILSA-N
• XLogP: 6.72
• TPSA: 46.61 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.96
LogP ≤ 5	6.72
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 (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione (CID 18836896) is (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione is CCc1ccccc1N1C(=O)S/C(=C\c2ccccc2OCc2ccccc2Cl)C1=O.

What is the InChIKey of (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione?

The InChIKey is GWFMQDSJNLRBSI-HAHDFKILSA-N. The full InChI is InChI=1S/C25H20ClNO3S/c1-2-17-9-4-7-13-21(17)27-24(28)23(31-25(27)29)15-18-10-5-8-14-22(18)30-16-19-11-3-6-12-20(19)26/h3-15H,2,16H2,1H3/b23-15-.

What are the key properties of (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione?

(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 449.96 g/mol, XLogP of 6.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-ethylphenyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18836896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).