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

C8H9N3O2S — CID 104633216

IUPAC2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol
SMILESNC(CO)c1noc(-c2ccsc2)n1
InChIInChI=1S/C8H9N3O2S/c9-6(3-12)7-10-8(13-11-7)5-1-2-14-4-5/h1-2,4,6,12H,3,9H2
InChIKeyOIHVPXIPABQBPP-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.79
Rot. Bonds3

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

2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol (PubChem CID 104633216) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol
PubChem CID104633216
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol
SMILESNC(CO)c1noc(-c2ccsc2)n1
InChIInChI=1S/C8H9N3O2S/c9-6(3-12)7-10-8(13-11-7)5-1-2-14-4-5/h1-2,4,6,12H,3,9H2
InChIKeyOIHVPXIPABQBPP-UHFFFAOYSA-N
XLogP0.79
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633256
2-amino-2-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633217
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 47002355
2-amino-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633410
2-amino-2-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 113435353
2-amino-2-[5-(thiadiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633150
2-amino-2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633282
2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 106855875
2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61334504
2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633412
2-amino-2-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633231
2-amino-2-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 113435341

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol?
The IUPAC name of 2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol (CID 104633216) is 2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol.
What is the SMILES notation for 2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol?
The canonical SMILES for 2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol is NC(CO)c1noc(-c2ccsc2)n1.
What is the InChIKey of 2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol?
The InChIKey is OIHVPXIPABQBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c9-6(3-12)7-10-8(13-11-7)5-1-2-14-4-5/h1-2,4,6,12H,3,9H2.
What are the key properties of 2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol?
2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol has a molecular weight of 211.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol is sourced from PubChem (CID 104633216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).