N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide

C19H16F3N3O2S2 — CID 86878166

About N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide

N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide (PubChem CID 86878166) has the molecular formula C19H16F3N3O2S2 and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

• Compound Name: N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
• PubChem CID: 86878166
• Molecular Formula: C19H16F3N3O2S2
• Molecular Weight: 439.48 g/mol
• Exact Mass: 439.06
• IUPAC Name: N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
• SMILES: Cc1nnc(Sc2ccc(NC(=O)COc3ccccc3C(F)(F)F)c(C)c2)s1
• InChI: InChI=1S/C19H16F3N3O2S2/c1-11-9-13(29-18-25-24-12(2)28-18)7-8-15(11)23-17(26)10-27-16-6-4-3-5-14(16)19(20,21)22/h3-9H,10H2,1-2H3,(H,23,26)
• InChIKey: OUHIFKRUADDEHW-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.48
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide (CID 86878166) is N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide.

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

The canonical SMILES for N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide is Cc1nnc(Sc2ccc(NC(=O)COc3ccccc3C(F)(F)F)c(C)c2)s1.

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

The InChIKey is OUHIFKRUADDEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2S2/c1-11-9-13(29-18-25-24-12(2)28-18)7-8-15(11)23-17(26)10-27-16-6-4-3-5-14(16)19(20,21)22/h3-9H,10H2,1-2H3,(H,23,26).

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

N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 439.48 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 86878166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).