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

C9H15N3OS — CID 80620897

IUPAC2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(C)(N)c1nc(C2CCCS2)no1
InChIInChI=1S/C9H15N3OS/c1-9(2,10)8-11-7(12-13-8)6-4-3-5-14-6/h6H,3-5,10H2,1-2H3
InChIKeyVHYLLXIPABWVOB-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.83
Rot. Bonds2

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

2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 80620897) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID80620897
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(C)(N)c1nc(C2CCCS2)no1
InChIInChI=1S/C9H15N3OS/c1-9(2,10)8-11-7(12-13-8)6-4-3-5-14-6/h6H,3-5,10H2,1-2H3
InChIKeyVHYLLXIPABWVOB-UHFFFAOYSA-N
XLogP1.83
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-3-(thiolan-2-yl)-1,2,4-oxadiazol-5-amine
CID 80636872
ethyl 2-methyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 80620009
[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 80620872
2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65420585
5-(1-chloroethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 80620869
N,3,3-trimethyl-1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 80636575
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 65261284
4-methyl-1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 80621178
[1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 115450992
3,3-dimethyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 80620918
3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2,3-dimethylbutan-2-amine
CID 80601737
1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 80620335

Frequently Asked Questions

What is the IUPAC name of 2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 80620897) is 2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CC(C)(N)c1nc(C2CCCS2)no1.
What is the InChIKey of 2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is VHYLLXIPABWVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-9(2,10)8-11-7(12-13-8)6-4-3-5-14-6/h6H,3-5,10H2,1-2H3.
What are the key properties of 2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 213.31 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 80620897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).