2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

C16H14N4OS2 — CID 40633215

About 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole

2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 40633215) has the molecular formula C16H14N4OS2 and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
• PubChem CID: 40633215
• Molecular Formula: C16H14N4OS2
• Molecular Weight: 342.45 g/mol
• Exact Mass: 342.06
• IUPAC Name: 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
• SMILES: Cc1ccc2nc(S[C@@H](C)c3nnc(-c4cccs4)o3)[nH]c2c1
• InChI: InChI=1S/C16H14N4OS2/c1-9-5-6-11-12(8-9)18-16(17-11)23-10(2)14-19-20-15(21-14)13-4-3-7-22-13/h3-8,10H,1-2H3,(H,17,18)/t10-/m0/s1
• InChIKey: ZPQDWKLSOVYTIN-JTQLQIEISA-N
• XLogP: 4.84
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.45
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?

The IUPAC name of 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 40633215) is 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

What is the SMILES notation for 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?

The canonical SMILES for 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is Cc1ccc2nc(S[C@@H](C)c3nnc(-c4cccs4)o3)[nH]c2c1.

What is the InChIKey of 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?

The InChIKey is ZPQDWKLSOVYTIN-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14N4OS2/c1-9-5-6-11-12(8-9)18-16(17-11)23-10(2)14-19-20-15(21-14)13-4-3-7-22-13/h3-8,10H,1-2H3,(H,17,18)/t10-/m0/s1.

What are the key properties of 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?

2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 342.45 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S)-1-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 40633215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).