(2E,5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

C23H18ClN3O2S — CID 18841735

About (2E,5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one

(2E,5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 18841735) has the molecular formula C23H18ClN3O2S and a molecular weight of 435.94 g/mol. Its IUPAC name is (2E,5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (2E,5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
• PubChem CID: 18841735
• Molecular Formula: C23H18ClN3O2S
• Molecular Weight: 435.94 g/mol
• Exact Mass: 435.08
• IUPAC Name: (2E,5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
• SMILES: CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)S/C1=N/c1ccccn1
• InChI: InChI=1S/C23H18ClN3O2S/c1-27-22(28)20(30-23(27)26-21-12-6-7-13-25-21)14-16-8-3-5-11-19(16)29-15-17-9-2-4-10-18(17)24/h2-14H,15H2,1H3/b20-14-,26-23+
• InChIKey: CINWCPFYPPYXLA-URWIEHKQSA-N
• XLogP: 5.55
• TPSA: 54.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.94
LogP ≤ 5	5.55
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 (2E,5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?

The IUPAC name of (2E,5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one (CID 18841735) is (2E,5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one.

What is the SMILES notation for (2E,5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?

The canonical SMILES for (2E,5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)S/C1=N/c1ccccn1.

What is the InChIKey of (2E,5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?

The InChIKey is CINWCPFYPPYXLA-URWIEHKQSA-N. The full InChI is InChI=1S/C23H18ClN3O2S/c1-27-22(28)20(30-23(27)26-21-12-6-7-13-25-21)14-16-8-3-5-11-19(16)29-15-17-9-2-4-10-18(17)24/h2-14H,15H2,1H3/b20-14-,26-23+.

What are the key properties of (2E,5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one?

(2E,5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 435.94 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18841735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).