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

C24H23N5O3S — CID 121101057

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

N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide (PubChem CID 121101057) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
• PubChem CID: 121101057
• Molecular Formula: C24H23N5O3S
• Molecular Weight: 461.55 g/mol
• Exact Mass: 461.15
• IUPAC Name: N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
• SMILES: COc1ccc(-c2nc(CCNC(=O)C(C)n3nc(-c4cccnc4)ccc3=O)cs2)cc1
• InChI: InChI=1S/C24H23N5O3S/c1-16(29-22(30)10-9-21(28-29)18-4-3-12-25-14-18)23(31)26-13-11-19-15-33-24(27-19)17-5-7-20(32-2)8-6-17/h3-10,12,14-16H,11,13H2,1-2H3,(H,26,31)
• InChIKey: UIRFTCYTTIKOAR-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 99.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.55
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide (CID 121101057) is N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide.

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

The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide is COc1ccc(-c2nc(CCNC(=O)C(C)n3nc(-c4cccnc4)ccc3=O)cs2)cc1.

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

The InChIKey is UIRFTCYTTIKOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-16(29-22(30)10-9-21(28-29)18-4-3-12-25-14-18)23(31)26-13-11-19-15-33-24(27-19)17-5-7-20(32-2)8-6-17/h3-10,12,14-16H,11,13H2,1-2H3,(H,26,31).

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

N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide has a molecular weight of 461.55 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 8 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-pyridin-3-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 121101057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).