(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one

C24H19ClN2O3S — CID 135834372

About (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one

(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135834372) has the molecular formula C24H19ClN2O3S and a molecular weight of 450.95 g/mol. Its IUPAC name is (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one
• PubChem CID: 135834372
• Molecular Formula: C24H19ClN2O3S
• Molecular Weight: 450.95 g/mol
• Exact Mass: 450.08
• IUPAC Name: (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one
• SMILES: Cc1cccc(O)c1/N=C1\NC(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)S1
• InChI: InChI=1S/C24H19ClN2O3S/c1-15-7-6-11-19(28)22(15)26-24-27-23(29)21(31-24)13-16-8-3-5-12-20(16)30-14-17-9-2-4-10-18(17)25/h2-13,28H,14H2,1H3,(H,26,27,29)/b21-13-
• InChIKey: XRMYULWBGQSHLK-BKUYFWCQSA-N
• XLogP: 5.82
• TPSA: 70.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.95
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'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)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one (CID 135834372) is (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1cccc(O)c1/N=C1\NC(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)S1.

What is the InChIKey of (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one?

The InChIKey is XRMYULWBGQSHLK-BKUYFWCQSA-N. The full InChI is InChI=1S/C24H19ClN2O3S/c1-15-7-6-11-19(28)22(15)26-24-27-23(29)21(31-24)13-16-8-3-5-12-20(16)30-14-17-9-2-4-10-18(17)25/h2-13,28H,14H2,1H3,(H,26,27,29)/b21-13-.

What are the key properties of (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one?

(5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 450.95 g/mol, XLogP of 5.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2-hydroxy-6-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135834372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).