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

C16H13N5O2S2 — CID 3167659

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

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 3167659) has the molecular formula C16H13N5O2S2 and a molecular weight of 371.45 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• PubChem CID: 3167659
• Molecular Formula: C16H13N5O2S2
• Molecular Weight: 371.45 g/mol
• Exact Mass: 371.05
• IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
• SMILES: Cc1sc(NC(=O)CSc2nnc(-c3cccnc3)o2)c(C#N)c1C
• InChI: InChI=1S/C16H13N5O2S2/c1-9-10(2)25-15(12(9)6-17)19-13(22)8-24-16-21-20-14(23-16)11-4-3-5-18-7-11/h3-5,7H,8H2,1-2H3,(H,19,22)
• InChIKey: HZZGIWMNEPOAKZ-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 104.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.45
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 3167659) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

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

The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1sc(NC(=O)CSc2nnc(-c3cccnc3)o2)c(C#N)c1C.

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

The InChIKey is HZZGIWMNEPOAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S2/c1-9-10(2)25-15(12(9)6-17)19-13(22)8-24-16-21-20-14(23-16)11-4-3-5-18-7-11/h3-5,7H,8H2,1-2H3,(H,19,22).

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

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 371.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 3167659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).