4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine

C23H15Cl4N3OS — CID 124541077

About 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine

4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 124541077) has the molecular formula C23H15Cl4N3OS and a molecular weight of 523.27 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
• PubChem CID: 124541077
• Molecular Formula: C23H15Cl4N3OS
• Molecular Weight: 523.27 g/mol
• Exact Mass: 520.97
• IUPAC Name: 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
• SMILES: Clc1ccc(-c2csc(N/N=C\c3ccc(OCc4c(Cl)cccc4Cl)cc3)n2)c(Cl)c1
• InChI: InChI=1S/C23H15Cl4N3OS/c24-15-6-9-17(21(27)10-15)22-13-32-23(29-22)30-28-11-14-4-7-16(8-5-14)31-12-18-19(25)2-1-3-20(18)26/h1-11,13H,12H2,(H,29,30)/b28-11-
• InChIKey: GDIORQGYGLKSPX-FXMZOFOKSA-N
• XLogP: 8.45
• TPSA: 46.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.27
LogP ≤ 5	8.45
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 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine?

The IUPAC name of 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine (CID 124541077) is 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine.

What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine?

The canonical SMILES for 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine is Clc1ccc(-c2csc(N/N=C\c3ccc(OCc4c(Cl)cccc4Cl)cc3)n2)c(Cl)c1.

What is the InChIKey of 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine?

The InChIKey is GDIORQGYGLKSPX-FXMZOFOKSA-N. The full InChI is InChI=1S/C23H15Cl4N3OS/c24-15-6-9-17(21(27)10-15)22-13-32-23(29-22)30-28-11-14-4-7-16(8-5-14)31-12-18-19(25)2-1-3-20(18)26/h1-11,13H,12H2,(H,29,30)/b28-11-.

What are the key properties of 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine?

4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 523.27 g/mol, XLogP of 8.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dichlorophenyl)-N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 124541077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).