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

C24H15Cl2F3N2O2S — CID 135844247

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

(5Z)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 135844247) has the molecular formula C24H15Cl2F3N2O2S and a molecular weight of 523.36 g/mol. Its IUPAC name is (5Z)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
• PubChem CID: 135844247
• Molecular Formula: C24H15Cl2F3N2O2S
• Molecular Weight: 523.36 g/mol
• Exact Mass: 522.02
• IUPAC Name: (5Z)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one
• SMILES: O=C1N/C(=N\c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1ccc(OCc2ccccc2Cl)cc1
• InChI: InChI=1S/C24H15Cl2F3N2O2S/c25-16-7-10-20(18(12-16)24(27,28)29)30-23-31-22(32)21(34-23)11-14-5-8-17(9-6-14)33-13-15-3-1-2-4-19(15)26/h1-12H,13H2,(H,30,31,32)/b21-11-
• InChIKey: BTFFOKOLHGYVGV-NHDPSOOVSA-N
• XLogP: 7.48
• TPSA: 50.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.36
LogP ≤ 5	7.48
H-Bond Donors ≤ 5	1
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)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one (CID 135844247) is (5Z)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1ccc(OCc2ccccc2Cl)cc1.

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

The InChIKey is BTFFOKOLHGYVGV-NHDPSOOVSA-N. The full InChI is InChI=1S/C24H15Cl2F3N2O2S/c25-16-7-10-20(18(12-16)24(27,28)29)30-23-31-22(32)21(34-23)11-14-5-8-17(9-6-14)33-13-15-3-1-2-4-19(15)26/h1-12H,13H2,(H,30,31,32)/b21-11-.

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

(5Z)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 523.36 g/mol, XLogP of 7.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-[4-chloro-2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135844247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).