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

C8H7Br2N3OS — CID 107965342

IUPAC1-[5-(2,5-dibromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(N)c1noc(-c2cc(Br)sc2Br)n1
InChIInChI=1S/C8H7Br2N3OS/c1-3(11)7-12-8(14-13-7)4-2-5(9)15-6(4)10/h2-3H,11H2,1H3
InChIKeySZSAVRKSJIUJMU-UHFFFAOYSA-N
MW353.04 g/mol
LogP3.34
Rot. Bonds2

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

1-[5-(2,5-dibromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 107965342) has the molecular formula C8H7Br2N3OS and a molecular weight of 353.04 g/mol. Its IUPAC name is 1-[5-(2,5-dibromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2,5-dibromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID107965342
Molecular FormulaC8H7Br2N3OS
Molecular Weight353.04 g/mol
Exact Mass350.87
IUPAC Name1-[5-(2,5-dibromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCC(N)c1noc(-c2cc(Br)sc2Br)n1
InChIInChI=1S/C8H7Br2N3OS/c1-3(11)7-12-8(14-13-7)4-2-5(9)15-6(4)10/h2-3H,11H2,1H3
InChIKeySZSAVRKSJIUJMU-UHFFFAOYSA-N
XLogP3.34
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.04
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dibromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(2,5-dibromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 107965342) is 1-[5-(2,5-dibromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(2,5-dibromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(2,5-dibromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine is CC(N)c1noc(-c2cc(Br)sc2Br)n1.
What is the InChIKey of 1-[5-(2,5-dibromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is SZSAVRKSJIUJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2N3OS/c1-3(11)7-12-8(14-13-7)4-2-5(9)15-6(4)10/h2-3H,11H2,1H3.
What are the key properties of 1-[5-(2,5-dibromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine?
1-[5-(2,5-dibromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 353.04 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dibromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 107965342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).