(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-nitrophenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one

C22H15ClN4O3S — CID 18843558

About (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-nitrophenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one

(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-nitrophenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 18843558) has the molecular formula C22H15ClN4O3S and a molecular weight of 450.91 g/mol. Its IUPAC name is (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-nitrophenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-nitrophenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one
• PubChem CID: 18843558
• Molecular Formula: C22H15ClN4O3S
• Molecular Weight: 450.91 g/mol
• Exact Mass: 450.06
• IUPAC Name: (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-nitrophenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one
• SMILES: C/C(=C1/S/C(=N\c2cccnc2Cl)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1
• InChI: InChI=1S/C22H15ClN4O3S/c1-14(15-9-11-17(12-10-15)27(29)30)19-21(28)26(16-6-3-2-4-7-16)22(31-19)25-18-8-5-13-24-20(18)23/h2-13H,1H3/b19-14-,25-22-
• InChIKey: NLEWBWNTYVVTTA-HZLKLEQGSA-N
• XLogP: 5.84
• TPSA: 88.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.91
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-nitrophenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-nitrophenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one (CID 18843558) is (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-nitrophenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-nitrophenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-nitrophenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one is C/C(=C1/S/C(=N\c2cccnc2Cl)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1.

What is the InChIKey of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-nitrophenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one?

The InChIKey is NLEWBWNTYVVTTA-HZLKLEQGSA-N. The full InChI is InChI=1S/C22H15ClN4O3S/c1-14(15-9-11-17(12-10-15)27(29)30)19-21(28)26(16-6-3-2-4-7-16)22(31-19)25-18-8-5-13-24-20(18)23/h2-13H,1H3/b19-14-,25-22-.

What are the key properties of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-nitrophenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one?

(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-nitrophenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 450.91 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[1-(4-nitrophenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18843558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).