5-(aminomethyl)-N-(5-methylthiolan-3-yl)-1,3,4-oxadiazol-2-amine

C8H14N4OS — CID 127017077

IUPAC5-(aminomethyl)-N-(5-methylthiolan-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCC1CC(Nc2nnc(CN)o2)CS1
InChIInChI=1S/C8H14N4OS/c1-5-2-6(4-14-5)10-8-12-11-7(3-9)13-8/h5-6H,2-4,9H2,1H3,(H,10,12)
InChIKeyIFRPUEQJLLLBQZ-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.83
Rot. Bonds3

About 5-(aminomethyl)-N-(5-methylthiolan-3-yl)-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-(5-methylthiolan-3-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 127017077) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(5-methylthiolan-3-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(5-methylthiolan-3-yl)-1,3,4-oxadiazol-2-amine
PubChem CID127017077
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name5-(aminomethyl)-N-(5-methylthiolan-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCC1CC(Nc2nnc(CN)o2)CS1
InChIInChI=1S/C8H14N4OS/c1-5-2-6(4-14-5)10-8-12-11-7(3-9)13-8/h5-6H,2-4,9H2,1H3,(H,10,12)
InChIKeyIFRPUEQJLLLBQZ-UHFFFAOYSA-N
XLogP0.83
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(5-methylthiolan-3-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(5-methylthiolan-3-yl)-1,3,4-oxadiazol-2-amine (CID 127017077) is 5-(aminomethyl)-N-(5-methylthiolan-3-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(5-methylthiolan-3-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(5-methylthiolan-3-yl)-1,3,4-oxadiazol-2-amine is CC1CC(Nc2nnc(CN)o2)CS1.
What is the InChIKey of 5-(aminomethyl)-N-(5-methylthiolan-3-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is IFRPUEQJLLLBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-5-2-6(4-14-5)10-8-12-11-7(3-9)13-8/h5-6H,2-4,9H2,1H3,(H,10,12).
What are the key properties of 5-(aminomethyl)-N-(5-methylthiolan-3-yl)-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-(5-methylthiolan-3-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 214.29 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(5-methylthiolan-3-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 127017077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).