N-(2-methoxy-5-methylphenyl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide

C19H17N5O2S2 — CID 7217668

About N-(2-methoxy-5-methylphenyl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide

N-(2-methoxy-5-methylphenyl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide (PubChem CID 7217668) has the molecular formula C19H17N5O2S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2-methoxy-5-methylphenyl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
• PubChem CID: 7217668
• Molecular Formula: C19H17N5O2S2
• Molecular Weight: 411.51 g/mol
• Exact Mass: 411.08
• IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
• SMILES: COc1ccc(C)cc1NC(=O)CSc1nnc2ccc(-c3cccs3)nn12
• InChI: InChI=1S/C19H17N5O2S2/c1-12-5-7-15(26-2)14(10-12)20-18(25)11-28-19-22-21-17-8-6-13(23-24(17)19)16-4-3-9-27-16/h3-10H,11H2,1-2H3,(H,20,25)
• InChIKey: GWFKKRZMYPEYPX-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 81.41 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	411.51
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide?

The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide (CID 7217668) is N-(2-methoxy-5-methylphenyl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide?

The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide is COc1ccc(C)cc1NC(=O)CSc1nnc2ccc(-c3cccs3)nn12.

What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide?

The InChIKey is GWFKKRZMYPEYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S2/c1-12-5-7-15(26-2)14(10-12)20-18(25)11-28-19-22-21-17-8-6-13(23-24(17)19)16-4-3-9-27-16/h3-10H,11H2,1-2H3,(H,20,25).

What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide?

N-(2-methoxy-5-methylphenyl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide has a molecular weight of 411.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxy-5-methylphenyl)-2-[(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 7217668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).