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

C24H20ClN3O4S — CID 18844044

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

(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-phenyl-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 18844044) has the molecular formula C24H20ClN3O4S and a molecular weight of 481.96 g/mol. Its IUPAC name is (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-phenyl-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-phenyl-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 18844044
• Molecular Formula: C24H20ClN3O4S
• Molecular Weight: 481.96 g/mol
• Exact Mass: 481.09
• IUPAC Name: (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-phenyl-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
• SMILES: COc1ccc(/C=C2\S/C(=N\c3ccncc3Cl)N(c3ccccc3)C2=O)c(OC)c1OC
• InChI: InChI=1S/C24H20ClN3O4S/c1-30-19-10-9-15(21(31-2)22(19)32-3)13-20-23(29)28(16-7-5-4-6-8-16)24(33-20)27-18-11-12-26-14-17(18)25/h4-14H,1-3H3/b20-13-,27-24-
• InChIKey: HEKMELCSNDRQMK-CXEDADEWSA-N
• XLogP: 5.57
• TPSA: 73.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.96
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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)-2-[(3-chloro-4-pyridinyl)imino]-3-phenyl-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-phenyl-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 18844044) is (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-phenyl-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-phenyl-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1ccc(/C=C2\S/C(=N\c3ccncc3Cl)N(c3ccccc3)C2=O)c(OC)c1OC.

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

The InChIKey is HEKMELCSNDRQMK-CXEDADEWSA-N. The full InChI is InChI=1S/C24H20ClN3O4S/c1-30-19-10-9-15(21(31-2)22(19)32-3)13-20-23(29)28(16-7-5-4-6-8-16)24(33-20)27-18-11-12-26-14-17(18)25/h4-14H,1-3H3/b20-13-,27-24-.

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

(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-phenyl-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 481.96 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-phenyl-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 18844044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).