N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide

C19H16N4O4S — CID 121123709

About N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide

N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 121123709) has the molecular formula C19H16N4O4S and a molecular weight of 396.43 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
• PubChem CID: 121123709
• Molecular Formula: C19H16N4O4S
• Molecular Weight: 396.43 g/mol
• Exact Mass: 396.09
• IUPAC Name: N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
• SMILES: Cc1nc(-c2ccco2)sc1CNC(=O)Cn1nc(-c2ccco2)ccc1=O
• InChI: InChI=1S/C19H16N4O4S/c1-12-16(28-19(21-12)15-5-3-9-27-15)10-20-17(24)11-23-18(25)7-6-13(22-23)14-4-2-8-26-14/h2-9H,10-11H2,1H3,(H,20,24)
• InChIKey: DTCXTEAOOQHMKO-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 103.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.43
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (CID 121123709) is N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.

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

The canonical SMILES for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is Cc1nc(-c2ccco2)sc1CNC(=O)Cn1nc(-c2ccco2)ccc1=O.

What is the InChIKey of N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?

The InChIKey is DTCXTEAOOQHMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S/c1-12-16(28-19(21-12)15-5-3-9-27-15)10-20-17(24)11-23-18(25)7-6-13(22-23)14-4-2-8-26-14/h2-9H,10-11H2,1H3,(H,20,24).

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

N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 396.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 121123709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).