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

C29H21Cl2N3OS — CID 17135045

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

5-(4-chlorophenyl)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 17135045) has the molecular formula C29H21Cl2N3OS and a molecular weight of 530.48 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
• PubChem CID: 17135045
• Molecular Formula: C29H21Cl2N3OS
• Molecular Weight: 530.48 g/mol
• Exact Mass: 529.08
• IUPAC Name: 5-(4-chlorophenyl)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
• SMILES: Clc1ccc(-c2sc(N/N=C/c3ccc(OCc4ccccc4Cl)cc3)nc2-c2ccccc2)cc1
• InChI: InChI=1S/C29H21Cl2N3OS/c30-24-14-12-22(13-15-24)28-27(21-6-2-1-3-7-21)33-29(36-28)34-32-18-20-10-16-25(17-11-20)35-19-23-8-4-5-9-26(23)31/h1-18H,19H2,(H,33,34)/b32-18+
• InChIKey: YKYRIPPRNZEDDF-KCSSXMTESA-N
• XLogP: 8.81
• TPSA: 46.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.48
LogP ≤ 5	8.81
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 5-(4-chlorophenyl)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine?

The IUPAC name of 5-(4-chlorophenyl)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 17135045) is 5-(4-chlorophenyl)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

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

The canonical SMILES for 5-(4-chlorophenyl)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is Clc1ccc(-c2sc(N/N=C/c3ccc(OCc4ccccc4Cl)cc3)nc2-c2ccccc2)cc1.

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

The InChIKey is YKYRIPPRNZEDDF-KCSSXMTESA-N. The full InChI is InChI=1S/C29H21Cl2N3OS/c30-24-14-12-22(13-15-24)28-27(21-6-2-1-3-7-21)33-29(36-28)34-32-18-20-10-16-25(17-11-20)35-19-23-8-4-5-9-26(23)31/h1-18H,19H2,(H,33,34)/b32-18+.

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

5-(4-chlorophenyl)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 530.48 g/mol, XLogP of 8.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 17135045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).