(2R,5Z)-3-(4-chlorophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one

C24H19ClFNO5S — CID 1243717

About (2R,5Z)-3-(4-chlorophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one

(2R,5Z)-3-(4-chlorophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one (PubChem CID 1243717) has the molecular formula C24H19ClFNO5S and a molecular weight of 487.94 g/mol. Its IUPAC name is (2R,5Z)-3-(4-chlorophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2R,5Z)-3-(4-chlorophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one
• PubChem CID: 1243717
• Molecular Formula: C24H19ClFNO5S
• Molecular Weight: 487.94 g/mol
• Exact Mass: 487.07
• IUPAC Name: (2R,5Z)-3-(4-chlorophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one
• SMILES: COc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)S2(=O)=O)c(OC)c1
• InChI: InChI=1S/C24H19ClFNO5S/c1-31-20-12-5-16(21(14-20)32-2)13-22-23(28)27(19-10-6-17(25)7-11-19)24(33(22,29)30)15-3-8-18(26)9-4-15/h3-14,24H,1-2H3/b22-13-/t24-/m1/s1
• InChIKey: BSXFNOUBNXLZPZ-RWTNITNYSA-N
• XLogP: 5.00
• TPSA: 72.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.94
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,5Z)-3-(4-chlorophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one?

The IUPAC name of (2R,5Z)-3-(4-chlorophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one (CID 1243717) is (2R,5Z)-3-(4-chlorophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one.

What is the SMILES notation for (2R,5Z)-3-(4-chlorophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one?

The canonical SMILES for (2R,5Z)-3-(4-chlorophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one is COc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)S2(=O)=O)c(OC)c1.

What is the InChIKey of (2R,5Z)-3-(4-chlorophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one?

The InChIKey is BSXFNOUBNXLZPZ-RWTNITNYSA-N. The full InChI is InChI=1S/C24H19ClFNO5S/c1-31-20-12-5-16(21(14-20)32-2)13-22-23(28)27(19-10-6-17(25)7-11-19)24(33(22,29)30)15-3-8-18(26)9-4-15/h3-14,24H,1-2H3/b22-13-/t24-/m1/s1.

What are the key properties of (2R,5Z)-3-(4-chlorophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one?

(2R,5Z)-3-(4-chlorophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one has a molecular weight of 487.94 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5Z)-3-(4-chlorophenyl)-5-[(2,4-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,1-dioxo-1,3-thiazolidin-4-one is sourced from PubChem (CID 1243717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).