2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol

C22H14Cl3N3OS — CID 135892476

About 2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol

2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (PubChem CID 135892476) has the molecular formula C22H14Cl3N3OS and a molecular weight of 474.80 g/mol. Its IUPAC name is 2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

• Compound Name: 2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
• PubChem CID: 135892476
• Molecular Formula: C22H14Cl3N3OS
• Molecular Weight: 474.80 g/mol
• Exact Mass: 472.99
• IUPAC Name: 2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
• SMILES: Oc1c(Cl)cc(Cl)cc1/C=N\Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1
• InChI: InChI=1S/C22H14Cl3N3OS/c23-16-8-6-13(7-9-16)19-21(14-4-2-1-3-5-14)30-22(27-19)28-26-12-15-10-17(24)11-18(25)20(15)29/h1-12,29H,(H,27,28)/b26-12-
• InChIKey: MILGSYZECZAWSZ-ZRGSRPPYSA-N
• XLogP: 7.59
• TPSA: 57.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.80
LogP ≤ 5	7.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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 2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?

The IUPAC name of 2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol (CID 135892476) is 2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol.

What is the SMILES notation for 2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?

The canonical SMILES for 2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is Oc1c(Cl)cc(Cl)cc1/C=N\Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1.

What is the InChIKey of 2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?

The InChIKey is MILGSYZECZAWSZ-ZRGSRPPYSA-N. The full InChI is InChI=1S/C22H14Cl3N3OS/c23-16-8-6-13(7-9-16)19-21(14-4-2-1-3-5-14)30-22(27-19)28-26-12-15-10-17(24)11-18(25)20(15)29/h1-12,29H,(H,27,28)/b26-12-.

What are the key properties of 2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol?

2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol has a molecular weight of 474.80 g/mol, XLogP of 7.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135892476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).