(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2,4-dichlorophenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one

C18H12Cl3N3OS — CID 18843422

About (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2,4-dichlorophenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one

(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2,4-dichlorophenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 18843422) has the molecular formula C18H12Cl3N3OS and a molecular weight of 424.74 g/mol. Its IUPAC name is (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2,4-dichlorophenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2,4-dichlorophenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
• PubChem CID: 18843422
• Molecular Formula: C18H12Cl3N3OS
• Molecular Weight: 424.74 g/mol
• Exact Mass: 422.98
• IUPAC Name: (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2,4-dichlorophenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
• SMILES: C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N/c1cccnc1Cl
• InChI: InChI=1S/C18H12Cl3N3OS/c1-2-8-24-17(25)15(9-11-5-6-12(19)10-13(11)20)26-18(24)23-14-4-3-7-22-16(14)21/h2-7,9-10H,1,8H2/b15-9-,23-18+
• InChIKey: TXMQMNXRXSDZSF-HMLQPPTQSA-N
• XLogP: 5.83
• TPSA: 45.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.74
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2,4-dichlorophenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2,4-dichlorophenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 18843422) is (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2,4-dichlorophenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2,4-dichlorophenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N/c1cccnc1Cl.

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

The InChIKey is TXMQMNXRXSDZSF-HMLQPPTQSA-N. The full InChI is InChI=1S/C18H12Cl3N3OS/c1-2-8-24-17(25)15(9-11-5-6-12(19)10-13(11)20)26-18(24)23-14-4-3-7-22-16(14)21/h2-7,9-10H,1,8H2/b15-9-,23-18+.

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

(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2,4-dichlorophenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 424.74 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(2,4-dichlorophenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18843422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).