4-(2,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine

C28H26Cl2N4OS — CID 2431698

About 4-(2,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine

4-(2,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 2431698) has the molecular formula C28H26Cl2N4OS and a molecular weight of 537.52 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

• Compound Name: 4-(2,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine
• PubChem CID: 2431698
• Molecular Formula: C28H26Cl2N4OS
• Molecular Weight: 537.52 g/mol
• Exact Mass: 536.12
• IUPAC Name: 4-(2,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine
• SMILES: Cc1ccc(C)c(/N=c2\scc(-c3ccc(Cl)cc3Cl)n2N=Cc2ccc(N3CCOCC3)cc2)c1
• InChI: InChI=1S/C28H26Cl2N4OS/c1-19-3-4-20(2)26(15-19)32-28-34(27(18-36-28)24-10-7-22(29)16-25(24)30)31-17-21-5-8-23(9-6-21)33-11-13-35-14-12-33/h3-10,15-18H,11-14H2,1-2H3/b31-17?,32-28-
• InChIKey: PWVQJHCLHIUWQH-AQWYKQQFSA-N
• XLogP: 7.09
• TPSA: 42.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.52
LogP ≤ 5	7.09
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 4-(2,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine?

The IUPAC name of 4-(2,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine (CID 2431698) is 4-(2,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine.

What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine?

The canonical SMILES for 4-(2,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine is Cc1ccc(C)c(/N=c2\scc(-c3ccc(Cl)cc3Cl)n2N=Cc2ccc(N3CCOCC3)cc2)c1.

What is the InChIKey of 4-(2,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine?

The InChIKey is PWVQJHCLHIUWQH-AQWYKQQFSA-N. The full InChI is InChI=1S/C28H26Cl2N4OS/c1-19-3-4-20(2)26(15-19)32-28-34(27(18-36-28)24-10-7-22(29)16-25(24)30)31-17-21-5-8-23(9-6-21)33-11-13-35-14-12-33/h3-10,15-18H,11-14H2,1-2H3/b31-17?,32-28-.

What are the key properties of 4-(2,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine?

4-(2,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 537.52 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 2431698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).