4-(4-cyclohexylphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine

C27H33N3OS — CID 138392669

About 4-(4-cyclohexylphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine

4-(4-cyclohexylphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine (PubChem CID 138392669) has the molecular formula C27H33N3OS and a molecular weight of 447.65 g/mol. Its IUPAC name is 4-(4-cyclohexylphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine.

Molecular Properties

• Compound Name: 4-(4-cyclohexylphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine
• PubChem CID: 138392669
• Molecular Formula: C27H33N3OS
• Molecular Weight: 447.65 g/mol
• Exact Mass: 447.23
• IUPAC Name: 4-(4-cyclohexylphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine
• SMILES: c1ccc(/N=c2\scc(-c3ccc(C4CCCCC4)cc3)n2CCN2CCOCC2)cc1
• InChI: InChI=1S/C27H33N3OS/c1-3-7-22(8-4-1)23-11-13-24(14-12-23)26-21-32-27(28-25-9-5-2-6-10-25)30(26)16-15-29-17-19-31-20-18-29/h2,5-6,9-14,21-22H,1,3-4,7-8,15-20H2/b28-27-
• InChIKey: HZZPTMGMMWYALQ-DQSJHHFOSA-N
• XLogP: 5.83
• TPSA: 29.76 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.65
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine?

The IUPAC name of 4-(4-cyclohexylphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine (CID 138392669) is 4-(4-cyclohexylphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine.

What is the SMILES notation for 4-(4-cyclohexylphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine?

The canonical SMILES for 4-(4-cyclohexylphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine is c1ccc(/N=c2\scc(-c3ccc(C4CCCCC4)cc3)n2CCN2CCOCC2)cc1.

What is the InChIKey of 4-(4-cyclohexylphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine?

The InChIKey is HZZPTMGMMWYALQ-DQSJHHFOSA-N. The full InChI is InChI=1S/C27H33N3OS/c1-3-7-22(8-4-1)23-11-13-24(14-12-23)26-21-32-27(28-25-9-5-2-6-10-25)30(26)16-15-29-17-19-31-20-18-29/h2,5-6,9-14,21-22H,1,3-4,7-8,15-20H2/b28-27-.

What are the key properties of 4-(4-cyclohexylphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine?

4-(4-cyclohexylphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine has a molecular weight of 447.65 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-cyclohexylphenyl)-3-(2-morpholin-4-ylethyl)-N-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 138392669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).