(5Z)-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione

C24H26FNO4S — CID 126219707

About (5Z)-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione

(5Z)-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione (PubChem CID 126219707) has the molecular formula C24H26FNO4S and a molecular weight of 443.54 g/mol. Its IUPAC name is (5Z)-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione
• PubChem CID: 126219707
• Molecular Formula: C24H26FNO4S
• Molecular Weight: 443.54 g/mol
• Exact Mass: 443.16
• IUPAC Name: (5Z)-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione
• SMILES: CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C1=O
• InChI: InChI=1S/C24H26FNO4S/c1-3-5-6-13-26-23(27)22(31-24(26)28)15-18-9-12-20(21(14-18)29-4-2)30-16-17-7-10-19(25)11-8-17/h7-12,14-15H,3-6,13,16H2,1-2H3/b22-15-
• InChIKey: PIRSVKXRIYNDJU-JCMHNJIXSA-N
• XLogP: 6.03
• TPSA: 55.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.54
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5Z)-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione (CID 126219707) is (5Z)-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione.

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

The canonical SMILES for (5Z)-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione is CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C1=O.

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

The InChIKey is PIRSVKXRIYNDJU-JCMHNJIXSA-N. The full InChI is InChI=1S/C24H26FNO4S/c1-3-5-6-13-26-23(27)22(31-24(26)28)15-18-9-12-20(21(14-18)29-4-2)30-16-17-7-10-19(25)11-8-17/h7-12,14-15H,3-6,13,16H2,1-2H3/b22-15-.

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

(5Z)-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione has a molecular weight of 443.54 g/mol, XLogP of 6.03, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126219707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).