(5Z)-2-(4-chlorophenyl)imino-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one

C25H20ClFN2O3S — CID 137074623

About (5Z)-2-(4-chlorophenyl)imino-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(4-chlorophenyl)imino-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 137074623) has the molecular formula C25H20ClFN2O3S and a molecular weight of 482.96 g/mol. Its IUPAC name is (5Z)-2-(4-chlorophenyl)imino-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-(4-chlorophenyl)imino-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 137074623
• Molecular Formula: C25H20ClFN2O3S
• Molecular Weight: 482.96 g/mol
• Exact Mass: 482.09
• IUPAC Name: (5Z)-2-(4-chlorophenyl)imino-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one
• SMILES: CCOc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)ccc1OCc1ccccc1F
• InChI: InChI=1S/C25H20ClFN2O3S/c1-2-31-22-13-16(7-12-21(22)32-15-17-5-3-4-6-20(17)27)14-23-24(30)29-25(33-23)28-19-10-8-18(26)9-11-19/h3-14H,2,15H2,1H3,(H,28,29,30)/b23-14-
• InChIKey: PEVFBXNWANWLCD-UCQKPKSFSA-N
• XLogP: 6.35
• TPSA: 59.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.96
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-chlorophenyl)imino-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-(4-chlorophenyl)imino-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one (CID 137074623) is (5Z)-2-(4-chlorophenyl)imino-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-2-(4-chlorophenyl)imino-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-2-(4-chlorophenyl)imino-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one is CCOc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)ccc1OCc1ccccc1F.

What is the InChIKey of (5Z)-2-(4-chlorophenyl)imino-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one?

The InChIKey is PEVFBXNWANWLCD-UCQKPKSFSA-N. The full InChI is InChI=1S/C25H20ClFN2O3S/c1-2-31-22-13-16(7-12-21(22)32-15-17-5-3-4-6-20(17)27)14-23-24(30)29-25(33-23)28-19-10-8-18(26)9-11-19/h3-14H,2,15H2,1H3,(H,28,29,30)/b23-14-.

What are the key properties of (5Z)-2-(4-chlorophenyl)imino-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one?

(5Z)-2-(4-chlorophenyl)imino-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 482.96 g/mol, XLogP of 6.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-(4-chlorophenyl)imino-5-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137074623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).