2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine

C8H8BrN3OS — CID 164654503

IUPAC2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(-c2ccsc2Br)n1
InChIInChI=1S/C8H8BrN3OS/c9-7-5(2-4-14-7)8-11-6(1-3-10)12-13-8/h2,4H,1,3,10H2
InChIKeyYRZOGKRVOOCWGC-UHFFFAOYSA-N
MW274.14 g/mol
LogP2.06
Rot. Bonds3

About 2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine

2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 164654503) has the molecular formula C8H8BrN3OS and a molecular weight of 274.14 g/mol. Its IUPAC name is 2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID164654503
Molecular FormulaC8H8BrN3OS
Molecular Weight274.14 g/mol
Exact Mass272.96
IUPAC Name2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(-c2ccsc2Br)n1
InChIInChI=1S/C8H8BrN3OS/c9-7-5(2-4-14-7)8-11-6(1-3-10)12-13-8/h2,4H,1,3,10H2
InChIKeyYRZOGKRVOOCWGC-UHFFFAOYSA-N
XLogP2.06
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-bromothiophen-3-yl)-3-methyl-1,2,4-oxadiazole
CID 75365488
2-[5-(2,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 114375340
2-[5-(3-fluorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 130594373
2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61334504
2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334113
2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334501
2-[5-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 81476100
3-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 106855863
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336064
2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334499
2-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104615619
2-[4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 62500649

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 164654503) is 2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine is NCCc1noc(-c2ccsc2Br)n1.
What is the InChIKey of 2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is YRZOGKRVOOCWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3OS/c9-7-5(2-4-14-7)8-11-6(1-3-10)12-13-8/h2,4H,1,3,10H2.
What are the key properties of 2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 274.14 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 164654503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).