(E)-4-(4-chlorophenyl)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)-1,3-thiazol-2-imine

C24H18ClF2N3O2S — CID 6906377

About (E)-4-(4-chlorophenyl)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)-1,3-thiazol-2-imine

(E)-4-(4-chlorophenyl)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)-1,3-thiazol-2-imine (PubChem CID 6906377) has the molecular formula C24H18ClF2N3O2S and a molecular weight of 485.94 g/mol. Its IUPAC name is (E)-4-(4-chlorophenyl)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)-1,3-thiazol-2-imine.

Molecular Properties

• Compound Name: (E)-4-(4-chlorophenyl)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
• PubChem CID: 6906377
• Molecular Formula: C24H18ClF2N3O2S
• Molecular Weight: 485.94 g/mol
• Exact Mass: 485.08
• IUPAC Name: (E)-4-(4-chlorophenyl)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
• SMILES: COc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2/N=C/c2ccc(OC(F)F)cc2)cc1
• InChI: InChI=1S/C24H18ClF2N3O2S/c1-31-20-12-8-19(9-13-20)29-24-30(22(15-33-24)17-4-6-18(25)7-5-17)28-14-16-2-10-21(11-3-16)32-23(26)27/h2-15,23H,1H3/b28-14+,29-24-
• InChIKey: FPGVSMNTOTXHMU-PMGWRTNSSA-N
• XLogP: 6.59
• TPSA: 48.11 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.94
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-chlorophenyl)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)-1,3-thiazol-2-imine?

The IUPAC name of (E)-4-(4-chlorophenyl)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)-1,3-thiazol-2-imine (CID 6906377) is (E)-4-(4-chlorophenyl)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)-1,3-thiazol-2-imine.

What is the SMILES notation for (E)-4-(4-chlorophenyl)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)-1,3-thiazol-2-imine?

The canonical SMILES for (E)-4-(4-chlorophenyl)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)-1,3-thiazol-2-imine is COc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2/N=C/c2ccc(OC(F)F)cc2)cc1.

What is the InChIKey of (E)-4-(4-chlorophenyl)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)-1,3-thiazol-2-imine?

The InChIKey is FPGVSMNTOTXHMU-PMGWRTNSSA-N. The full InChI is InChI=1S/C24H18ClF2N3O2S/c1-31-20-12-8-19(9-13-20)29-24-30(22(15-33-24)17-4-6-18(25)7-5-17)28-14-16-2-10-21(11-3-16)32-23(26)27/h2-15,23H,1H3/b28-14+,29-24-.

What are the key properties of (E)-4-(4-chlorophenyl)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)-1,3-thiazol-2-imine?

(E)-4-(4-chlorophenyl)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)-1,3-thiazol-2-imine has a molecular weight of 485.94 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-4-(4-chlorophenyl)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(4-methoxyphenyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 6906377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).