N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine

C24H20ClN3OS — CID 110338310

About N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine

N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 110338310) has the molecular formula C24H20ClN3OS and a molecular weight of 433.96 g/mol. Its IUPAC name is N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
• PubChem CID: 110338310
• Molecular Formula: C24H20ClN3OS
• Molecular Weight: 433.96 g/mol
• Exact Mass: 433.10
• IUPAC Name: N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine
• SMILES: Cc1sc(N/N=C/c2ccc(OCc3ccccc3Cl)cc2)nc1-c1ccccc1
• InChI: InChI=1S/C24H20ClN3OS/c1-17-23(19-7-3-2-4-8-19)27-24(30-17)28-26-15-18-11-13-21(14-12-18)29-16-20-9-5-6-10-22(20)25/h2-15H,16H2,1H3,(H,27,28)/b26-15+
• InChIKey: BRTNMAVHNASESL-CVKSISIWSA-N
• XLogP: 6.80
• TPSA: 46.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.96
LogP ≤ 5	6.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine?

The IUPAC name of N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine (CID 110338310) is N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine.

What is the SMILES notation for N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine?

The canonical SMILES for N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine is Cc1sc(N/N=C/c2ccc(OCc3ccccc3Cl)cc2)nc1-c1ccccc1.

What is the InChIKey of N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine?

The InChIKey is BRTNMAVHNASESL-CVKSISIWSA-N. The full InChI is InChI=1S/C24H20ClN3OS/c1-17-23(19-7-3-2-4-8-19)27-24(30-17)28-26-15-18-11-13-21(14-12-18)29-16-20-9-5-6-10-22(20)25/h2-15H,16H2,1H3,(H,27,28)/b26-15+.

What are the key properties of N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine?

N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 433.96 g/mol, XLogP of 6.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-5-methyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 110338310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).