2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C18H20N4O3S2 — CID 664166

About 2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 664166) has the molecular formula C18H20N4O3S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
• PubChem CID: 664166
• Molecular Formula: C18H20N4O3S2
• Molecular Weight: 404.52 g/mol
• Exact Mass: 404.10
• IUPAC Name: 2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
• SMILES: COc1ccc(CCCc2nnc(SCC(=O)Nc3ncc(C)s3)o2)cc1
• InChI: InChI=1S/C18H20N4O3S2/c1-12-10-19-17(27-12)20-15(23)11-26-18-22-21-16(25-18)5-3-4-13-6-8-14(24-2)9-7-13/h6-10H,3-5,11H2,1-2H3,(H,19,20,23)
• InChIKey: XKCNREGXLZBYQU-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 90.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.52
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 664166) is 2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is COc1ccc(CCCc2nnc(SCC(=O)Nc3ncc(C)s3)o2)cc1.

What is the InChIKey of 2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?

The InChIKey is XKCNREGXLZBYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S2/c1-12-10-19-17(27-12)20-15(23)11-26-18-22-21-16(25-18)5-3-4-13-6-8-14(24-2)9-7-13/h6-10H,3-5,11H2,1-2H3,(H,19,20,23).

What are the key properties of 2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?

2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 404.52 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 664166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).