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

C10H17N3OS — CID 80620093

IUPAC2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(CN)c1nc(C2CCCCS2)no1
InChIInChI=1S/C10H17N3OS/c1-7(6-11)10-12-9(13-14-10)8-4-2-3-5-15-8/h7-8H,2-6,11H2,1H3
InChIKeyNZWCVVONANCFDD-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.09
Rot. Bonds3

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

2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 80620093) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID80620093
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCC(CN)c1nc(C2CCCCS2)no1
InChIInChI=1S/C10H17N3OS/c1-7(6-11)10-12-9(13-14-10)8-4-2-3-5-15-8/h7-8H,2-6,11H2,1H3
InChIKeyNZWCVVONANCFDD-UHFFFAOYSA-N
XLogP2.09
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 80637584
2-methyl-1-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80620091
3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 80637950
5-(diethoxymethyl)-3-(thian-2-yl)-1,2,4-oxadiazole
CID 80638291
5-(1-chloroethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 80620869
2-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 80620615
3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 80637565
2-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 65425586
ethyl 2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]butanoate
CID 80620640
N-methyl-1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 80620076
ethyl 3-methyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]butanoate
CID 80620100
3-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 80619997

Frequently Asked Questions

What is the IUPAC name of 2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 80620093) is 2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CC(CN)c1nc(C2CCCCS2)no1.
What is the InChIKey of 2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is NZWCVVONANCFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(6-11)10-12-9(13-14-10)8-4-2-3-5-15-8/h7-8H,2-6,11H2,1H3.
What are the key properties of 2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 227.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 80620093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).