N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

C24H21N5OS — CID 16562621

About N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide

N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 16562621) has the molecular formula C24H21N5OS and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
• PubChem CID: 16562621
• Molecular Formula: C24H21N5OS
• Molecular Weight: 427.53 g/mol
• Exact Mass: 427.15
• IUPAC Name: N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
• SMILES: Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)Cc2csc(-c3ccccn3)n2)cc1
• InChI: InChI=1S/C24H21N5OS/c1-16-6-9-18(10-7-16)28-29-22-13-17(2)8-11-20(22)27-23(30)14-19-15-31-24(26-19)21-5-3-4-12-25-21/h3-13,15H,14H2,1-2H3,(H,27,30)/b29-28+
• InChIKey: GNCBXCGRGWJRPR-ZQHSETAFSA-N
• XLogP: 6.42
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.53
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?

The IUPAC name of N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 16562621) is N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

What is the SMILES notation for N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?

The canonical SMILES for N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)Cc2csc(-c3ccccn3)n2)cc1.

What is the InChIKey of N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?

The InChIKey is GNCBXCGRGWJRPR-ZQHSETAFSA-N. The full InChI is InChI=1S/C24H21N5OS/c1-16-6-9-18(10-7-16)28-29-22-13-17(2)8-11-20(22)27-23(30)14-19-15-31-24(26-19)21-5-3-4-12-25-21/h3-13,15H,14H2,1-2H3,(H,27,30)/b29-28+.

What are the key properties of N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?

N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 427.53 g/mol, XLogP of 6.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-2-[(4-methylphenyl)diazenyl]phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 16562621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).