2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide

C20H19N5O3S — CID 121038632

About 2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide

2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide (PubChem CID 121038632) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide
• PubChem CID: 121038632
• Molecular Formula: C20H19N5O3S
• Molecular Weight: 409.47 g/mol
• Exact Mass: 409.12
• IUPAC Name: 2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide
• SMILES: COc1ccc(-c2cn3c(CC(=O)NCCn4ncccc4=O)csc3n2)cc1
• InChI: InChI=1S/C20H19N5O3S/c1-28-16-6-4-14(5-7-16)17-12-24-15(13-29-20(24)23-17)11-18(26)21-9-10-25-19(27)3-2-8-22-25/h2-8,12-13H,9-11H2,1H3,(H,21,26)
• InChIKey: MHVXISINWZIWDL-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.47
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide (CID 121038632) is 2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide.

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

The canonical SMILES for 2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide is COc1ccc(-c2cn3c(CC(=O)NCCn4ncccc4=O)csc3n2)cc1.

What is the InChIKey of 2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide?

The InChIKey is MHVXISINWZIWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-28-16-6-4-14(5-7-16)17-12-24-15(13-29-20(24)23-17)11-18(26)21-9-10-25-19(27)3-2-8-22-25/h2-8,12-13H,9-11H2,1H3,(H,21,26).

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

2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide has a molecular weight of 409.47 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121038632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).