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

C10H17N3OS — CID 80619997

IUPAC3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESNCCCc1nc(C2CCCCS2)no1
InChIInChI=1S/C10H17N3OS/c11-6-3-5-9-12-10(13-14-9)8-4-1-2-7-15-8/h8H,1-7,11H2
InChIKeyMLPCWTPEUPINDM-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.92
Rot. Bonds4

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

3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 80619997) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID80619997
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESNCCCc1nc(C2CCCCS2)no1
InChIInChI=1S/C10H17N3OS/c11-6-3-5-9-12-10(13-14-9)8-4-1-2-7-15-8/h8H,1-7,11H2
InChIKeyMLPCWTPEUPINDM-UHFFFAOYSA-N
XLogP1.92
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 80620872
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 65391886
1-cyclopropyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 80637282
6-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 79973347
2-[2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273796
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 29032656
3-[5-(thian-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 80595435
N-[2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 80620623
[1-[[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458373
2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080477
1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 80620335
2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 80620093

Frequently Asked Questions

What is the IUPAC name of 3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 80619997) is 3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is NCCCc1nc(C2CCCCS2)no1.
What is the InChIKey of 3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is MLPCWTPEUPINDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c11-6-3-5-9-12-10(13-14-9)8-4-1-2-7-15-8/h8H,1-7,11H2.
What are the key properties of 3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 227.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 80619997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).