5-[1-(methylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine

C8H13F3N4OS — CID 106434283

IUPAC5-[1-(methylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NCCSC(F)(F)F)o1
InChIInChI=1S/C8H13F3N4OS/c1-5(12-2)6-14-15-7(16-6)13-3-4-17-8(9,10)11/h5,12H,3-4H2,1-2H3,(H,13,15)
InChIKeyDAAKPUUEPMLQLZ-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.01
Rot. Bonds6

About 5-[1-(methylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine

5-[1-(methylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106434283) has the molecular formula C8H13F3N4OS and a molecular weight of 270.28 g/mol. Its IUPAC name is 5-[1-(methylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(methylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106434283
Molecular FormulaC8H13F3N4OS
Molecular Weight270.28 g/mol
Exact Mass270.08
IUPAC Name5-[1-(methylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NCCSC(F)(F)F)o1
InChIInChI=1S/C8H13F3N4OS/c1-5(12-2)6-14-15-7(16-6)13-3-4-17-8(9,10)11/h5,12H,3-4H2,1-2H3,(H,13,15)
InChIKeyDAAKPUUEPMLQLZ-UHFFFAOYSA-N
XLogP2.01
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(methylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(methylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106434283) is 5-[1-(methylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(methylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(methylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine is CNC(C)c1nnc(NCCSC(F)(F)F)o1.
What is the InChIKey of 5-[1-(methylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is DAAKPUUEPMLQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4OS/c1-5(12-2)6-14-15-7(16-6)13-3-4-17-8(9,10)11/h5,12H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 5-[1-(methylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine?
5-[1-(methylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 270.28 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106434283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).