N-(2-fluorophenyl)-2-[4-methyl-5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide

C15H14FN7O2S2 — CID 6497759

About N-(2-fluorophenyl)-2-[4-methyl-5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide

N-(2-fluorophenyl)-2-[4-methyl-5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide (PubChem CID 6497759) has the molecular formula C15H14FN7O2S2 and a molecular weight of 407.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-methyl-5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-2-[4-methyl-5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
• PubChem CID: 6497759
• Molecular Formula: C15H14FN7O2S2
• Molecular Weight: 407.46 g/mol
• Exact Mass: 407.06
• IUPAC Name: N-(2-fluorophenyl)-2-[4-methyl-5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
• SMILES: Cn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1nncs1
• InChI: InChI=1S/C15H14FN7O2S2/c1-23-11(6-12(24)18-10-5-3-2-4-9(10)16)20-22-15(23)26-7-13(25)19-14-21-17-8-27-14/h2-5,8H,6-7H2,1H3,(H,18,24)(H,19,21,25)
• InChIKey: HATORXORKUZYJO-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 114.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.46
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-methyl-5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide?

The IUPAC name of N-(2-fluorophenyl)-2-[4-methyl-5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide (CID 6497759) is N-(2-fluorophenyl)-2-[4-methyl-5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide.

What is the SMILES notation for N-(2-fluorophenyl)-2-[4-methyl-5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide?

The canonical SMILES for N-(2-fluorophenyl)-2-[4-methyl-5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide is Cn1c(CC(=O)Nc2ccccc2F)nnc1SCC(=O)Nc1nncs1.

What is the InChIKey of N-(2-fluorophenyl)-2-[4-methyl-5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide?

The InChIKey is HATORXORKUZYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN7O2S2/c1-23-11(6-12(24)18-10-5-3-2-4-9(10)16)20-22-15(23)26-7-13(25)19-14-21-17-8-27-14/h2-5,8H,6-7H2,1H3,(H,18,24)(H,19,21,25).

What are the key properties of N-(2-fluorophenyl)-2-[4-methyl-5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide?

N-(2-fluorophenyl)-2-[4-methyl-5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide has a molecular weight of 407.46 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluorophenyl)-2-[4-methyl-5-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 6497759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).