N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide

C21H20N6O3S — CID 90517425

About N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide

N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide (PubChem CID 90517425) has the molecular formula C21H20N6O3S and a molecular weight of 436.50 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
• PubChem CID: 90517425
• Molecular Formula: C21H20N6O3S
• Molecular Weight: 436.50 g/mol
• Exact Mass: 436.13
• IUPAC Name: N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
• SMILES: COc1ccc(-c2nc(CCNC(=O)Cn3nc(-n4cccn4)ccc3=O)cs2)cc1
• InChI: InChI=1S/C21H20N6O3S/c1-30-17-5-3-15(4-6-17)21-24-16(14-31-21)9-11-22-19(28)13-27-20(29)8-7-18(25-27)26-12-2-10-23-26/h2-8,10,12,14H,9,11,13H2,1H3,(H,22,28)
• InChIKey: NHPCHQGIRBKYDE-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 103.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.50
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?

The IUPAC name of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide (CID 90517425) is N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide.

What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?

The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide is COc1ccc(-c2nc(CCNC(=O)Cn3nc(-n4cccn4)ccc3=O)cs2)cc1.

What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?

The InChIKey is NHPCHQGIRBKYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3S/c1-30-17-5-3-15(4-6-17)21-24-16(14-31-21)9-11-22-19(28)13-27-20(29)8-7-18(25-27)26-12-2-10-23-26/h2-8,10,12,14H,9,11,13H2,1H3,(H,22,28).

What are the key properties of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide?

N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide has a molecular weight of 436.50 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 90517425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).