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

C19H17N5OS2 — CID 43935554

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

N-(2,5-dimethylphenyl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (PubChem CID 43935554) has the molecular formula C19H17N5OS2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2,5-dimethylphenyl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
• PubChem CID: 43935554
• Molecular Formula: C19H17N5OS2
• Molecular Weight: 395.51 g/mol
• Exact Mass: 395.09
• IUPAC Name: N-(2,5-dimethylphenyl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
• SMILES: Cc1ccc(C)c(NC(=O)CSc2ccc3nnc(-c4cccs4)n3n2)c1
• InChI: InChI=1S/C19H17N5OS2/c1-12-5-6-13(2)14(10-12)20-17(25)11-27-18-8-7-16-21-22-19(24(16)23-18)15-4-3-9-26-15/h3-10H,11H2,1-2H3,(H,20,25)
• InChIKey: YDLKIBJEQOUNME-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(2,5-dimethylphenyl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide (CID 43935554) is N-(2,5-dimethylphenyl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide.

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

The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is Cc1ccc(C)c(NC(=O)CSc2ccc3nnc(-c4cccs4)n3n2)c1.

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

The InChIKey is YDLKIBJEQOUNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS2/c1-12-5-6-13(2)14(10-12)20-17(25)11-27-18-8-7-16-21-22-19(24(16)23-18)15-4-3-9-26-15/h3-10H,11H2,1-2H3,(H,20,25).

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

N-(2,5-dimethylphenyl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide has a molecular weight of 395.51 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-dimethylphenyl)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 43935554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).