N-[methyl-oxo-(1,3-thiazol-2-yl)-λ6-sulfanylidene]-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C15H11F3N4O3S2 — CID 155269172

About N-[methyl-oxo-(1,3-thiazol-2-yl)-λ6-sulfanylidene]-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide

N-[methyl-oxo-(1,3-thiazol-2-yl)-λ6-sulfanylidene]-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 155269172) has the molecular formula C15H11F3N4O3S2 and a molecular weight of 416.41 g/mol. Its IUPAC name is N-[methyl-oxo-(1,3-thiazol-2-yl)-λ6-sulfanylidene]-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[methyl-oxo-(1,3-thiazol-2-yl)-λ6-sulfanylidene]-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
• PubChem CID: 155269172
• Molecular Formula: C15H11F3N4O3S2
• Molecular Weight: 416.41 g/mol
• Exact Mass: 416.02
• IUPAC Name: N-[methyl-oxo-(1,3-thiazol-2-yl)-λ6-sulfanylidene]-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
• SMILES: CS(=O)(=NC(=O)Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1nccs1
• InChI: InChI=1S/C15H11F3N4O3S2/c1-27(24,14-19-6-7-26-14)22-11(23)8-9-2-4-10(5-3-9)12-20-13(25-21-12)15(16,17)18/h2-7H,8H2,1H3
• InChIKey: JLUSJZBAODMWJS-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 98.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.41
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[methyl-oxo-(1,3-thiazol-2-yl)-λ6-sulfanylidene]-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?

The IUPAC name of N-[methyl-oxo-(1,3-thiazol-2-yl)-λ6-sulfanylidene]-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 155269172) is N-[methyl-oxo-(1,3-thiazol-2-yl)-λ6-sulfanylidene]-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

What is the SMILES notation for N-[methyl-oxo-(1,3-thiazol-2-yl)-λ6-sulfanylidene]-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?

The canonical SMILES for N-[methyl-oxo-(1,3-thiazol-2-yl)-λ6-sulfanylidene]-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is CS(=O)(=NC(=O)Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1nccs1.

What is the InChIKey of N-[methyl-oxo-(1,3-thiazol-2-yl)-λ6-sulfanylidene]-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?

The InChIKey is JLUSJZBAODMWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O3S2/c1-27(24,14-19-6-7-26-14)22-11(23)8-9-2-4-10(5-3-9)12-20-13(25-21-12)15(16,17)18/h2-7H,8H2,1H3.

What are the key properties of N-[methyl-oxo-(1,3-thiazol-2-yl)-λ6-sulfanylidene]-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?

N-[methyl-oxo-(1,3-thiazol-2-yl)-λ6-sulfanylidene]-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 416.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[methyl-oxo-(1,3-thiazol-2-yl)-λ6-sulfanylidene]-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 155269172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).