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

C9H15F3N4OS — CID 106434284

IUPAC5-[1-(ethylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(NCCSC(F)(F)F)o1
InChIInChI=1S/C9H15F3N4OS/c1-3-13-6(2)7-15-16-8(17-7)14-4-5-18-9(10,11)12/h6,13H,3-5H2,1-2H3,(H,14,16)
InChIKeyKFKRWTHNBOPVFX-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.40
Rot. Bonds7

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

5-[1-(ethylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106434284) has the molecular formula C9H15F3N4OS and a molecular weight of 284.31 g/mol. Its IUPAC name is 5-[1-(ethylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(ethylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106434284
Molecular FormulaC9H15F3N4OS
Molecular Weight284.31 g/mol
Exact Mass284.09
IUPAC Name5-[1-(ethylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCNC(C)c1nnc(NCCSC(F)(F)F)o1
InChIInChI=1S/C9H15F3N4OS/c1-3-13-6(2)7-15-16-8(17-7)14-4-5-18-9(10,11)12/h6,13H,3-5H2,1-2H3,(H,14,16)
InChIKeyKFKRWTHNBOPVFX-UHFFFAOYSA-N
XLogP2.40
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.40
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-(ethylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(ethylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106434284) is 5-[1-(ethylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(ethylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(ethylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine is CCNC(C)c1nnc(NCCSC(F)(F)F)o1.
What is the InChIKey of 5-[1-(ethylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is KFKRWTHNBOPVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4OS/c1-3-13-6(2)7-15-16-8(17-7)14-4-5-18-9(10,11)12/h6,13H,3-5H2,1-2H3,(H,14,16).
What are the key properties of 5-[1-(ethylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine?
5-[1-(ethylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 284.31 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106434284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).