N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C13H12N6O2S2 — CID 3915967

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3915967) has the molecular formula C13H12N6O2S2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 3915967
• Molecular Formula: C13H12N6O2S2
• Molecular Weight: 348.41 g/mol
• Exact Mass: 348.05
• IUPAC Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• SMILES: CCc1nnc(NC(=O)CSc2nnc(-c3ccccn3)o2)s1
• InChI: InChI=1S/C13H12N6O2S2/c1-2-10-16-18-12(23-10)15-9(20)7-22-13-19-17-11(21-13)8-5-3-4-6-14-8/h3-6H,2,7H2,1H3,(H,15,18,20)
• InChIKey: UXOJRPXOPVJDMW-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 106.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.41
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 3915967) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is CCc1nnc(NC(=O)CSc2nnc(-c3ccccn3)o2)s1.

What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

The InChIKey is UXOJRPXOPVJDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O2S2/c1-2-10-16-18-12(23-10)15-9(20)7-22-13-19-17-11(21-13)8-5-3-4-6-14-8/h3-6H,2,7H2,1H3,(H,15,18,20).

What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 348.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3915967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).