1-[3-(thiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C8H13N3OS — CID 115080972

IUPAC1-[3-(thiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)c1nc(C2CCSC2)no1
InChIInChI=1S/C8H13N3OS/c1-5(9)8-10-7(11-12-8)6-2-3-13-4-6/h5-6H,2-4,9H2,1H3
InChIKeyULJYMWXWFMEESU-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.31
Rot. Bonds2

About 1-[3-(thiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine

1-[3-(thiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 115080972) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 1-[3-(thiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(thiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID115080972
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name1-[3-(thiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCC(N)c1nc(C2CCSC2)no1
InChIInChI=1S/C8H13N3OS/c1-5(9)8-10-7(11-12-8)6-2-3-13-4-6/h5-6H,2-4,9H2,1H3
InChIKeyULJYMWXWFMEESU-UHFFFAOYSA-N
XLogP1.31
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
(1S)-1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899801
(1S)-1-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104881230
1-[2-(thiolan-3-yl)pyrimidin-4-yl]ethanamine
CID 164644483
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422874
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
CID 64981709
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899805
(1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104881220
3-(thiolan-3-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115021927
1-[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115385268
1-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 79971098
(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 104965493

Frequently Asked Questions

What is the IUPAC name of 1-[3-(thiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-[3-(thiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 115080972) is 1-[3-(thiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-(thiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-(thiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is CC(N)c1nc(C2CCSC2)no1.
What is the InChIKey of 1-[3-(thiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is ULJYMWXWFMEESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-5(9)8-10-7(11-12-8)6-2-3-13-4-6/h5-6H,2-4,9H2,1H3.
What are the key properties of 1-[3-(thiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-[3-(thiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 199.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(thiolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 115080972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).