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

C23H18ClN3O2S — CID 18844074

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

(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[1-(3-methoxyphenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 18844074) has the molecular formula C23H18ClN3O2S and a molecular weight of 435.94 g/mol. Its IUPAC name is (5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[1-(3-methoxyphenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[1-(3-methoxyphenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one
• PubChem CID: 18844074
• Molecular Formula: C23H18ClN3O2S
• Molecular Weight: 435.94 g/mol
• Exact Mass: 435.08
• IUPAC Name: (5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[1-(3-methoxyphenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one
• SMILES: COc1cccc(/C(C)=C2\S/C(=N\c3ccncc3Cl)N(c3ccccc3)C2=O)c1
• InChI: InChI=1S/C23H18ClN3O2S/c1-15(16-7-6-10-18(13-16)29-2)21-22(28)27(17-8-4-3-5-9-17)23(30-21)26-20-11-12-25-14-19(20)24/h3-14H,1-2H3/b21-15-,26-23-
• InChIKey: LWENSRHDYAKCJA-SVHFWYAISA-N
• XLogP: 5.94
• TPSA: 54.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.94
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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]-5-[1-(3-methoxyphenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[1-(3-methoxyphenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one (CID 18844074) is (5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[1-(3-methoxyphenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[1-(3-methoxyphenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one is COc1cccc(/C(C)=C2\S/C(=N\c3ccncc3Cl)N(c3ccccc3)C2=O)c1.

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

The InChIKey is LWENSRHDYAKCJA-SVHFWYAISA-N. The full InChI is InChI=1S/C23H18ClN3O2S/c1-15(16-7-6-10-18(13-16)29-2)21-22(28)27(17-8-4-3-5-9-17)23(30-21)26-20-11-12-25-14-19(20)24/h3-14H,1-2H3/b21-15-,26-23-.

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

(5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[1-(3-methoxyphenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 435.94 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-[(3-chloro-4-pyridinyl)imino]-5-[1-(3-methoxyphenyl)ethylidene]-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 18844074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).