2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine

C8H9N3OS — CID 61334504

IUPAC2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESNCCc1noc(-c2ccsc2)n1
InChIInChI=1S/C8H9N3OS/c9-3-1-7-10-8(12-11-7)6-2-4-13-5-6/h2,4-5H,1,3,9H2
InChIKeyWMAOIBKTELDBJS-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.30
Rot. Bonds3

About 2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine

2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 61334504) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID61334504
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESNCCc1noc(-c2ccsc2)n1
InChIInChI=1S/C8H9N3OS/c9-3-1-7-10-8(12-11-7)6-2-4-13-5-6/h2,4-5H,1,3,9H2
InChIKeyWMAOIBKTELDBJS-UHFFFAOYSA-N
XLogP1.30
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 47002355
2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 164654503
N-butyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine
CID 112815205
2-methyl-2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylamino]propane-1,3-diol
CID 75436513
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336064
3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyrazin-2-amine
CID 106678486
N-benzyl-1-phenyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 112812417
2-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetic acid
CID 43169810
2-fluoro-4-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline
CID 79141214
2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 60775128
2-[5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 130594373
2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633216

Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of 2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine (CID 61334504) is 2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for 2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine is NCCc1noc(-c2ccsc2)n1.
What is the InChIKey of 2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is WMAOIBKTELDBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c9-3-1-7-10-8(12-11-7)6-2-4-13-5-6/h2,4-5H,1,3,9H2.
What are the key properties of 2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine?
2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 195.25 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 61334504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).