2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

C13H10F3N5OS2 — CID 6499895

About 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 6499895) has the molecular formula C13H10F3N5OS2 and a molecular weight of 373.39 g/mol. Its IUPAC name is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
• PubChem CID: 6499895
• Molecular Formula: C13H10F3N5OS2
• Molecular Weight: 373.39 g/mol
• Exact Mass: 373.03
• IUPAC Name: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
• SMILES: Cc1ccc2nc(SCC(=O)Nc3nnc(C(F)(F)F)s3)[nH]c2c1
• InChI: InChI=1S/C13H10F3N5OS2/c1-6-2-3-7-8(4-6)18-11(17-7)23-5-9(22)19-12-21-20-10(24-12)13(14,15)16/h2-4H,5H2,1H3,(H,17,18)(H,19,21,22)
• InChIKey: XDHSOLKYAOGOEZ-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 83.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.39
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?

The IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 6499895) is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.

What is the SMILES notation for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?

The canonical SMILES for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is Cc1ccc2nc(SCC(=O)Nc3nnc(C(F)(F)F)s3)[nH]c2c1.

What is the InChIKey of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?

The InChIKey is XDHSOLKYAOGOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5OS2/c1-6-2-3-7-8(4-6)18-11(17-7)23-5-9(22)19-12-21-20-10(24-12)13(14,15)16/h2-4H,5H2,1H3,(H,17,18)(H,19,21,22).

What are the key properties of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 373.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 6499895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).