(5Z)-2-[5-(4-chlorophenyl)thiophen-3-yl]imino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one

C20H12ClFN2OS2 — CID 136961673

About (5Z)-2-[5-(4-chlorophenyl)thiophen-3-yl]imino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-[5-(4-chlorophenyl)thiophen-3-yl]imino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 136961673) has the molecular formula C20H12ClFN2OS2 and a molecular weight of 414.91 g/mol. Its IUPAC name is (5Z)-2-[5-(4-chlorophenyl)thiophen-3-yl]imino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-[5-(4-chlorophenyl)thiophen-3-yl]imino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 136961673
• Molecular Formula: C20H12ClFN2OS2
• Molecular Weight: 414.91 g/mol
• Exact Mass: 414.01
• IUPAC Name: (5Z)-2-[5-(4-chlorophenyl)thiophen-3-yl]imino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
• SMILES: O=C1N/C(=N\c2csc(-c3ccc(Cl)cc3)c2)S/C1=C\c1ccc(F)cc1
• InChI: InChI=1S/C20H12ClFN2OS2/c21-14-5-3-13(4-6-14)17-10-16(11-26-17)23-20-24-19(25)18(27-20)9-12-1-7-15(22)8-2-12/h1-11H,(H,23,24,25)/b18-9-
• InChIKey: CHTPLRYHIWPAKM-NVMNQCDNSA-N
• XLogP: 6.10
• TPSA: 41.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.91
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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-[5-(4-chlorophenyl)thiophen-3-yl]imino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-[5-(4-chlorophenyl)thiophen-3-yl]imino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one (CID 136961673) is (5Z)-2-[5-(4-chlorophenyl)thiophen-3-yl]imino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-2-[5-(4-chlorophenyl)thiophen-3-yl]imino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2csc(-c3ccc(Cl)cc3)c2)S/C1=C\c1ccc(F)cc1.

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

The InChIKey is CHTPLRYHIWPAKM-NVMNQCDNSA-N. The full InChI is InChI=1S/C20H12ClFN2OS2/c21-14-5-3-13(4-6-14)17-10-16(11-26-17)23-20-24-19(25)18(27-20)9-12-1-7-15(22)8-2-12/h1-11H,(H,23,24,25)/b18-9-.

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

(5Z)-2-[5-(4-chlorophenyl)thiophen-3-yl]imino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 414.91 g/mol, XLogP of 6.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-[5-(4-chlorophenyl)thiophen-3-yl]imino-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 136961673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).