(5Z)-2-(4-chlorophenyl)imino-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one

C27H24ClFN2O2S — CID 126085050

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

(5Z)-2-(4-chlorophenyl)imino-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (PubChem CID 126085050) has the molecular formula C27H24ClFN2O2S and a molecular weight of 495.02 g/mol. Its IUPAC name is (5Z)-2-(4-chlorophenyl)imino-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-(4-chlorophenyl)imino-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
• PubChem CID: 126085050
• Molecular Formula: C27H24ClFN2O2S
• Molecular Weight: 495.02 g/mol
• Exact Mass: 494.12
• IUPAC Name: (5Z)-2-(4-chlorophenyl)imino-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
• SMILES: CC(C)CN1C(=O)/C(=C/c2ccccc2OCc2cccc(F)c2)S/C1=N/c1ccc(Cl)cc1
• InChI: InChI=1S/C27H24ClFN2O2S/c1-18(2)16-31-26(32)25(34-27(31)30-23-12-10-21(28)11-13-23)15-20-7-3-4-9-24(20)33-17-19-6-5-8-22(29)14-19/h3-15,18H,16-17H2,1-2H3/b25-15-,30-27+
• InChIKey: IZCBBESOZMDZAJ-ZQYDBVKLSA-N
• XLogP: 7.32
• TPSA: 41.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.02
LogP ≤ 5	7.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-(4-chlorophenyl)imino-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-(4-chlorophenyl)imino-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (CID 126085050) is (5Z)-2-(4-chlorophenyl)imino-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-2-(4-chlorophenyl)imino-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is CC(C)CN1C(=O)/C(=C/c2ccccc2OCc2cccc(F)c2)S/C1=N/c1ccc(Cl)cc1.

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

The InChIKey is IZCBBESOZMDZAJ-ZQYDBVKLSA-N. The full InChI is InChI=1S/C27H24ClFN2O2S/c1-18(2)16-31-26(32)25(34-27(31)30-23-12-10-21(28)11-13-23)15-20-7-3-4-9-24(20)33-17-19-6-5-8-22(29)14-19/h3-15,18H,16-17H2,1-2H3/b25-15-,30-27+.

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

(5Z)-2-(4-chlorophenyl)imino-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 495.02 g/mol, XLogP of 7.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-(4-chlorophenyl)imino-5-[[2-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 126085050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).