N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C23H19ClN4O2S — CID 55823886

About N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 55823886) has the molecular formula C23H19ClN4O2S and a molecular weight of 450.95 g/mol. Its IUPAC name is N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
• PubChem CID: 55823886
• Molecular Formula: C23H19ClN4O2S
• Molecular Weight: 450.95 g/mol
• Exact Mass: 450.09
• IUPAC Name: N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
• SMILES: Cc1ccc(Cc2cnc(NC(=O)Cn3nc(-c4ccccc4)ccc3=O)s2)cc1Cl
• InChI: InChI=1S/C23H19ClN4O2S/c1-15-7-8-16(12-19(15)24)11-18-13-25-23(31-18)26-21(29)14-28-22(30)10-9-20(27-28)17-5-3-2-4-6-17/h2-10,12-13H,11,14H2,1H3,(H,25,26,29)
• InChIKey: MIWIGSWRHCPENX-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.95
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?

The IUPAC name of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 55823886) is N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

What is the SMILES notation for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?

The canonical SMILES for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is Cc1ccc(Cc2cnc(NC(=O)Cn3nc(-c4ccccc4)ccc3=O)s2)cc1Cl.

What is the InChIKey of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?

The InChIKey is MIWIGSWRHCPENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2S/c1-15-7-8-16(12-19(15)24)11-18-13-25-23(31-18)26-21(29)14-28-22(30)10-9-20(27-28)17-5-3-2-4-6-17/h2-10,12-13H,11,14H2,1H3,(H,25,26,29).

What are the key properties of N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?

N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 450.95 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 55823886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).