(Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide

C25H20N4O2S — CID 135461343

About (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide

(Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 135461343) has the molecular formula C25H20N4O2S and a molecular weight of 440.53 g/mol. Its IUPAC name is (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

• Compound Name: (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
• PubChem CID: 135461343
• Molecular Formula: C25H20N4O2S
• Molecular Weight: 440.53 g/mol
• Exact Mass: 440.13
• IUPAC Name: (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
• SMILES: Cc1ccc(/N=N/C(C(=O)Nc2nc(-c3ccccc3)cs2)=C(\O)c2ccccc2)cc1
• InChI: InChI=1S/C25H20N4O2S/c1-17-12-14-20(15-13-17)28-29-22(23(30)19-10-6-3-7-11-19)24(31)27-25-26-21(16-32-25)18-8-4-2-5-9-18/h2-16,30H,1H3,(H,26,27,31)/b23-22-,29-28+
• InChIKey: TWPYEVNJEOGFFD-MZVBNREDSA-N
• XLogP: 6.77
• TPSA: 86.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.53
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?

The IUPAC name of (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide (CID 135461343) is (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide.

What is the SMILES notation for (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?

The canonical SMILES for (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide is Cc1ccc(/N=N/C(C(=O)Nc2nc(-c3ccccc3)cs2)=C(\O)c2ccccc2)cc1.

What is the InChIKey of (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?

The InChIKey is TWPYEVNJEOGFFD-MZVBNREDSA-N. The full InChI is InChI=1S/C25H20N4O2S/c1-17-12-14-20(15-13-17)28-29-22(23(30)19-10-6-3-7-11-19)24(31)27-25-26-21(16-32-25)18-8-4-2-5-9-18/h2-16,30H,1H3,(H,26,27,31)/b23-22-,29-28+.

What are the key properties of (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide?

(Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 440.53 g/mol, XLogP of 6.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-hydroxy-2-[(4-methylphenyl)diazenyl]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 135461343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).