N-(2-methoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide

C21H18N4O2S3 — CID 27461214

About N-(2-methoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide

N-(2-methoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 27461214) has the molecular formula C21H18N4O2S3 and a molecular weight of 454.60 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-(2-methoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
• PubChem CID: 27461214
• Molecular Formula: C21H18N4O2S3
• Molecular Weight: 454.60 g/mol
• Exact Mass: 454.06
• IUPAC Name: N-(2-methoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide
• SMILES: COc1ccccc1NC(=O)CSc1ccc(-c2sc(-c3cccs3)nc2C)nn1
• InChI: InChI=1S/C21H18N4O2S3/c1-13-20(30-21(22-13)17-8-5-11-28-17)15-9-10-19(25-24-15)29-12-18(26)23-14-6-3-4-7-16(14)27-2/h3-11H,12H2,1-2H3,(H,23,26)
• InChIKey: CJSSVRCBJUGJNQ-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 77.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.60
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?

The IUPAC name of N-(2-methoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide (CID 27461214) is N-(2-methoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide.

What is the SMILES notation for N-(2-methoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?

The canonical SMILES for N-(2-methoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is COc1ccccc1NC(=O)CSc1ccc(-c2sc(-c3cccs3)nc2C)nn1.

What is the InChIKey of N-(2-methoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?

The InChIKey is CJSSVRCBJUGJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S3/c1-13-20(30-21(22-13)17-8-5-11-28-17)15-9-10-19(25-24-15)29-12-18(26)23-14-6-3-4-7-16(14)27-2/h3-11H,12H2,1-2H3,(H,23,26).

What are the key properties of N-(2-methoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide?

N-(2-methoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 454.60 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxyphenyl)-2-[6-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 27461214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).