N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide

C24H22N4O3S — CID 87947426

About N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide

N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide (PubChem CID 87947426) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide.

Molecular Properties

• Compound Name: N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
• PubChem CID: 87947426
• Molecular Formula: C24H22N4O3S
• Molecular Weight: 446.53 g/mol
• Exact Mass: 446.14
• IUPAC Name: N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
• SMILES: CC(C)n1nc(-c2sc(NC(=O)COc3ccccc3)nc2-c2ccccc2)ccc1=O
• InChI: InChI=1S/C24H22N4O3S/c1-16(2)28-21(30)14-13-19(27-28)23-22(17-9-5-3-6-10-17)26-24(32-23)25-20(29)15-31-18-11-7-4-8-12-18/h3-14,16H,15H2,1-2H3,(H,25,26,29)
• InChIKey: DWOAOCUZNPRTOO-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 86.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.53
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide?

The IUPAC name of N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide (CID 87947426) is N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide.

What is the SMILES notation for N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide?

The canonical SMILES for N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide is CC(C)n1nc(-c2sc(NC(=O)COc3ccccc3)nc2-c2ccccc2)ccc1=O.

What is the InChIKey of N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide?

The InChIKey is DWOAOCUZNPRTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-16(2)28-21(30)14-13-19(27-28)23-22(17-9-5-3-6-10-17)26-24(32-23)25-20(29)15-31-18-11-7-4-8-12-18/h3-14,16H,15H2,1-2H3,(H,25,26,29).

What are the key properties of N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide?

N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide has a molecular weight of 446.53 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6-oxo-1-propan-2-ylpyridazin-3-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 87947426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).