(2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one

C22H15Cl2N3OS — CID 18843010

About (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one

(2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 18843010) has the molecular formula C22H15Cl2N3OS and a molecular weight of 440.36 g/mol. Its IUPAC name is (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one
• PubChem CID: 18843010
• Molecular Formula: C22H15Cl2N3OS
• Molecular Weight: 440.36 g/mol
• Exact Mass: 439.03
• IUPAC Name: (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one
• SMILES: Cc1cccc(/N=C2/S/C(=C\c3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)n1
• InChI: InChI=1S/C22H15Cl2N3OS/c1-14-6-5-9-20(25-14)26-22-27(17-7-3-2-4-8-17)21(28)19(29-22)12-15-10-11-16(23)13-18(15)24/h2-13H,1H3/b19-12-,26-22+
• InChIKey: YLXYTSNMEUHQFI-VJEQAQGUSA-N
• XLogP: 6.51
• TPSA: 45.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.36
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	0
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 (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one?

The IUPAC name of (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one (CID 18843010) is (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one.

What is the SMILES notation for (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one?

The canonical SMILES for (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one is Cc1cccc(/N=C2/S/C(=C\c3ccc(Cl)cc3Cl)C(=O)N2c2ccccc2)n1.

What is the InChIKey of (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one?

The InChIKey is YLXYTSNMEUHQFI-VJEQAQGUSA-N. The full InChI is InChI=1S/C22H15Cl2N3OS/c1-14-6-5-9-20(25-14)26-22-27(17-7-3-2-4-8-17)21(28)19(29-22)12-15-10-11-16(23)13-18(15)24/h2-13H,1H3/b19-12-,26-22+.

What are the key properties of (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one?

(2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 440.36 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5Z)-5-[(2,4-dichlorophenyl)methylidene]-2-[(6-methyl-2-pyridinyl)imino]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18843010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).