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

C7H11N3OS — CID 80620872

IUPAC[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(C2CCCS2)no1
InChIInChI=1S/C7H11N3OS/c8-4-6-9-7(10-11-6)5-2-1-3-12-5/h5H,1-4,8H2
InChIKeyZSNODISBNBTMRA-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.10
Rot. Bonds2

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

[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 80620872) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is [3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID80620872
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(C2CCCS2)no1
InChIInChI=1S/C7H11N3OS/c8-4-6-9-7(10-11-6)5-2-1-3-12-5/h5H,1-4,8H2
InChIKeyZSNODISBNBTMRA-UHFFFAOYSA-N
XLogP1.10
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080477
3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 80619997
1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 80620335
(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methanamine
CID 64982066
1-cyclopropyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 80637282
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
[1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 115450992
[1-[[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458373
N-[2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 80620623
2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740996
5-(piperidin-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 80620996
N,3,3-trimethyl-1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 80636575

Frequently Asked Questions

What is the IUPAC name of [3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 80620872) is [3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(C2CCCS2)no1.
What is the InChIKey of [3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is ZSNODISBNBTMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c8-4-6-9-7(10-11-6)5-2-1-3-12-5/h5H,1-4,8H2.
What are the key properties of [3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 185.25 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 80620872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).