4,6-dimethyl-1-[(E)-[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]-2-oxopyridine-3-carbonitrile

C24H20N4OS — CID 16750986

About 4,6-dimethyl-1-[(E)-[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]-2-oxopyridine-3-carbonitrile

4,6-dimethyl-1-[(E)-[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]-2-oxopyridine-3-carbonitrile (PubChem CID 16750986) has the molecular formula C24H20N4OS and a molecular weight of 412.52 g/mol. Its IUPAC name is 4,6-dimethyl-1-[(E)-[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]-2-oxopyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4,6-dimethyl-1-[(E)-[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]-2-oxopyridine-3-carbonitrile
• PubChem CID: 16750986
• Molecular Formula: C24H20N4OS
• Molecular Weight: 412.52 g/mol
• Exact Mass: 412.14
• IUPAC Name: 4,6-dimethyl-1-[(E)-[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]-2-oxopyridine-3-carbonitrile
• SMILES: Cc1ccc(-c2cs/c(=N/n3c(C)cc(C)c(C#N)c3=O)n2-c2ccccc2)cc1
• InChI: InChI=1S/C24H20N4OS/c1-16-9-11-19(12-10-16)22-15-30-24(27(22)20-7-5-4-6-8-20)26-28-18(3)13-17(2)21(14-25)23(28)29/h4-13,15H,1-3H3/b26-24+
• InChIKey: RPQHQJRIKMSMBS-SHHOIMCASA-N
• XLogP: 4.53
• TPSA: 63.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.52
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[(E)-[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]-2-oxopyridine-3-carbonitrile?

The IUPAC name of 4,6-dimethyl-1-[(E)-[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]-2-oxopyridine-3-carbonitrile (CID 16750986) is 4,6-dimethyl-1-[(E)-[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]-2-oxopyridine-3-carbonitrile.

What is the SMILES notation for 4,6-dimethyl-1-[(E)-[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]-2-oxopyridine-3-carbonitrile?

The canonical SMILES for 4,6-dimethyl-1-[(E)-[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]-2-oxopyridine-3-carbonitrile is Cc1ccc(-c2cs/c(=N/n3c(C)cc(C)c(C#N)c3=O)n2-c2ccccc2)cc1.

What is the InChIKey of 4,6-dimethyl-1-[(E)-[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]-2-oxopyridine-3-carbonitrile?

The InChIKey is RPQHQJRIKMSMBS-SHHOIMCASA-N. The full InChI is InChI=1S/C24H20N4OS/c1-16-9-11-19(12-10-16)22-15-30-24(27(22)20-7-5-4-6-8-20)26-28-18(3)13-17(2)21(14-25)23(28)29/h4-13,15H,1-3H3/b26-24+.

What are the key properties of 4,6-dimethyl-1-[(E)-[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]-2-oxopyridine-3-carbonitrile?

4,6-dimethyl-1-[(E)-[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]-2-oxopyridine-3-carbonitrile has a molecular weight of 412.52 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-dimethyl-1-[(E)-[4-(4-methylphenyl)-3-phenyl-1,3-thiazol-2-ylidene]amino]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 16750986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).