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

C8H16N4OS — CID 106961321

IUPAC5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NCCSC)o1
InChIInChI=1S/C8H16N4OS/c1-6(9-2)7-11-12-8(13-7)10-4-5-14-3/h6,9H,4-5H2,1-3H3,(H,10,12)
InChIKeyUCIJSKJAFRFJOF-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.12
Rot. Bonds6

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

5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106961321) has the molecular formula C8H16N4OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106961321
Molecular FormulaC8H16N4OS
Molecular Weight216.31 g/mol
Exact Mass216.10
IUPAC Name5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NCCSC)o1
InChIInChI=1S/C8H16N4OS/c1-6(9-2)7-11-12-8(13-7)10-4-5-14-3/h6,9H,4-5H2,1-3H3,(H,10,12)
InChIKeyUCIJSKJAFRFJOF-UHFFFAOYSA-N
XLogP1.12
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.12
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-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine (CID 106961321) is 5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine is CNC(C)c1nnc(NCCSC)o1.
What is the InChIKey of 5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is UCIJSKJAFRFJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS/c1-6(9-2)7-11-12-8(13-7)10-4-5-14-3/h6,9H,4-5H2,1-3H3,(H,10,12).
What are the key properties of 5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine?
5-[1-(methylamino)ethyl]-N-(2-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 216.31 g/mol, XLogP of 1.12, 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-methylsulfanylethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).