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

C9H16N4OS — CID 106965756

IUPAC5-[1-(methylamino)ethyl]-N-(thiolan-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NC2CCSC2)o1
InChIInChI=1S/C9H16N4OS/c1-6(10-2)8-12-13-9(14-8)11-7-3-4-15-5-7/h6-7,10H,3-5H2,1-2H3,(H,11,13)
InChIKeyWTYRQZDACYAITF-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.27
Rot. Bonds4

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

5-[1-(methylamino)ethyl]-N-(thiolan-3-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106965756) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-[1-(methylamino)ethyl]-N-(thiolan-3-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(methylamino)ethyl]-N-(thiolan-3-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106965756
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name5-[1-(methylamino)ethyl]-N-(thiolan-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NC2CCSC2)o1
InChIInChI=1S/C9H16N4OS/c1-6(10-2)8-12-13-9(14-8)11-7-3-4-15-5-7/h6-7,10H,3-5H2,1-2H3,(H,11,13)
InChIKeyWTYRQZDACYAITF-UHFFFAOYSA-N
XLogP1.27
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(methylamino)ethyl]-N-(thiolan-3-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(methylamino)ethyl]-N-(thiolan-3-yl)-1,3,4-oxadiazol-2-amine (CID 106965756) is 5-[1-(methylamino)ethyl]-N-(thiolan-3-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(methylamino)ethyl]-N-(thiolan-3-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(methylamino)ethyl]-N-(thiolan-3-yl)-1,3,4-oxadiazol-2-amine is CNC(C)c1nnc(NC2CCSC2)o1.
What is the InChIKey of 5-[1-(methylamino)ethyl]-N-(thiolan-3-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is WTYRQZDACYAITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-6(10-2)8-12-13-9(14-8)11-7-3-4-15-5-7/h6-7,10H,3-5H2,1-2H3,(H,11,13).
What are the key properties of 5-[1-(methylamino)ethyl]-N-(thiolan-3-yl)-1,3,4-oxadiazol-2-amine?
5-[1-(methylamino)ethyl]-N-(thiolan-3-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 228.32 g/mol, XLogP of 1.27, 4 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-(thiolan-3-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106965756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).