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

C22H14Cl2N2OS — CID 16633628

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

(5Z)-3-(3,4-dichlorophenyl)-2-imino-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 16633628) has the molecular formula C22H14Cl2N2OS and a molecular weight of 425.34 g/mol. Its IUPAC name is (5Z)-3-(3,4-dichlorophenyl)-2-imino-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-3-(3,4-dichlorophenyl)-2-imino-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 16633628
• Molecular Formula: C22H14Cl2N2OS
• Molecular Weight: 425.34 g/mol
• Exact Mass: 424.02
• IUPAC Name: (5Z)-3-(3,4-dichlorophenyl)-2-imino-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one
• SMILES: [H]/N=C1\S/C(=C\c2ccc(-c3ccccc3)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1
• InChI: InChI=1S/C22H14Cl2N2OS/c23-18-11-10-17(13-19(18)24)26-21(27)20(28-22(26)25)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-13,25H/b20-12-,25-22-
• InChIKey: BZNJHIBKQZHIKI-UZGKJVJGSA-N
• XLogP: 6.72
• TPSA: 44.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.34
LogP ≤ 5	6.72
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)-3-(3,4-dichlorophenyl)-2-imino-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-3-(3,4-dichlorophenyl)-2-imino-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 16633628) is (5Z)-3-(3,4-dichlorophenyl)-2-imino-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-3-(3,4-dichlorophenyl)-2-imino-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(-c3ccccc3)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1.

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

The InChIKey is BZNJHIBKQZHIKI-UZGKJVJGSA-N. The full InChI is InChI=1S/C22H14Cl2N2OS/c23-18-11-10-17(13-19(18)24)26-21(27)20(28-22(26)25)12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-13,25H/b20-12-,25-22-.

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

(5Z)-3-(3,4-dichlorophenyl)-2-imino-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 425.34 g/mol, XLogP of 6.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-3-(3,4-dichlorophenyl)-2-imino-5-[(4-phenylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 16633628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).