1,5-dimethyl-4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-phenylpyrazol-3-one

C21H20N4OS — CID 1498144

About 1,5-dimethyl-4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-phenylpyrazol-3-one

1,5-dimethyl-4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-phenylpyrazol-3-one (PubChem CID 1498144) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 1,5-dimethyl-4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-phenylpyrazol-3-one.

Molecular Properties

• Compound Name: 1,5-dimethyl-4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-phenylpyrazol-3-one
• PubChem CID: 1498144
• Molecular Formula: C21H20N4OS
• Molecular Weight: 376.49 g/mol
• Exact Mass: 376.14
• IUPAC Name: 1,5-dimethyl-4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-phenylpyrazol-3-one
• SMILES: Cc1c(/N=c2\scc(-c3ccccc3)n2C)c(=O)n(-c2ccccc2)n1C
• InChI: InChI=1S/C21H20N4OS/c1-15-19(20(26)25(24(15)3)17-12-8-5-9-13-17)22-21-23(2)18(14-27-21)16-10-6-4-7-11-16/h4-14H,1-3H3/b22-21-
• InChIKey: UYJAZJKOGIYDNI-DQRAZIAOSA-N
• XLogP: 3.78
• TPSA: 44.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.49
LogP ≤ 5	3.78
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 1,5-dimethyl-4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-phenylpyrazol-3-one?

The IUPAC name of 1,5-dimethyl-4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-phenylpyrazol-3-one (CID 1498144) is 1,5-dimethyl-4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-phenylpyrazol-3-one.

What is the SMILES notation for 1,5-dimethyl-4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-phenylpyrazol-3-one?

The canonical SMILES for 1,5-dimethyl-4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-phenylpyrazol-3-one is Cc1c(/N=c2\scc(-c3ccccc3)n2C)c(=O)n(-c2ccccc2)n1C.

What is the InChIKey of 1,5-dimethyl-4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-phenylpyrazol-3-one?

The InChIKey is UYJAZJKOGIYDNI-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-15-19(20(26)25(24(15)3)17-12-8-5-9-13-17)22-21-23(2)18(14-27-21)16-10-6-4-7-11-16/h4-14H,1-3H3/b22-21-.

What are the key properties of 1,5-dimethyl-4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-phenylpyrazol-3-one?

1,5-dimethyl-4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-phenylpyrazol-3-one has a molecular weight of 376.49 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethyl-4-[(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-phenylpyrazol-3-one is sourced from PubChem (CID 1498144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).