5-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C16H17N5OS2 — CID 134005593

About 5-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 134005593) has the molecular formula C16H17N5OS2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 5-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
• PubChem CID: 134005593
• Molecular Formula: C16H17N5OS2
• Molecular Weight: 359.48 g/mol
• Exact Mass: 359.09
• IUPAC Name: 5-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
• SMILES: CC(Sc1nnc(C2CC2)n1C1CC1)c1nc(-c2cccs2)no1
• InChI: InChI=1S/C16H17N5OS2/c1-9(15-17-13(20-22-15)12-3-2-8-23-12)24-16-19-18-14(10-4-5-10)21(16)11-6-7-11/h2-3,8-11H,4-7H2,1H3
• InChIKey: WZCORJAXEOOHER-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 69.63 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.48
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?

The IUPAC name of 5-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 134005593) is 5-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

What is the SMILES notation for 5-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?

The canonical SMILES for 5-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is CC(Sc1nnc(C2CC2)n1C1CC1)c1nc(-c2cccs2)no1.

What is the InChIKey of 5-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?

The InChIKey is WZCORJAXEOOHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS2/c1-9(15-17-13(20-22-15)12-3-2-8-23-12)24-16-19-18-14(10-4-5-10)21(16)11-6-7-11/h2-3,8-11H,4-7H2,1H3.

What are the key properties of 5-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole?

5-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 359.48 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 134005593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).