(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

C17H9Cl2F3N2OS — CID 16633532

About (5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 16633532) has the molecular formula C17H9Cl2F3N2OS and a molecular weight of 417.24 g/mol. Its IUPAC name is (5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
• PubChem CID: 16633532
• Molecular Formula: C17H9Cl2F3N2OS
• Molecular Weight: 417.24 g/mol
• Exact Mass: 415.98
• IUPAC Name: (5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
• SMILES: [H]/N=C1\S/C(=C\c2cccc(Cl)c2Cl)C(=O)N1c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C17H9Cl2F3N2OS/c18-12-6-1-3-9(14(12)19)7-13-15(25)24(16(23)26-13)11-5-2-4-10(8-11)17(20,21)22/h1-8,23H/b13-7-,23-16-
• InChIKey: WVHGUWXQXVCBHE-WQFDACBISA-N
• XLogP: 6.07
• TPSA: 44.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.24
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

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)-5-[(2,3-dichlorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 16633532) is (5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2cccc(Cl)c2Cl)C(=O)N1c1cccc(C(F)(F)F)c1.

What is the InChIKey of (5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?

The InChIKey is WVHGUWXQXVCBHE-WQFDACBISA-N. The full InChI is InChI=1S/C17H9Cl2F3N2OS/c18-12-6-1-3-9(14(12)19)7-13-15(25)24(16(23)26-13)11-5-2-4-10(8-11)17(20,21)22/h1-8,23H/b13-7-,23-16-.

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

(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 417.24 g/mol, XLogP of 6.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16633532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).