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

C9H9Br2N3OS — CID 80538836

IUPAC2-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(N)c1noc(-c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C9H9Br2N3OS/c1-9(2,12)8-13-7(15-14-8)5-3-4(10)6(11)16-5/h3H,12H2,1-2H3
InChIKeyXPOZPRWPEIZOMJ-UHFFFAOYSA-N
MW367.07 g/mol
LogP3.52
Rot. Bonds2

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

2-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 80538836) has the molecular formula C9H9Br2N3OS and a molecular weight of 367.07 g/mol. Its IUPAC name is 2-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID80538836
Molecular FormulaC9H9Br2N3OS
Molecular Weight367.07 g/mol
Exact Mass364.88
IUPAC Name2-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(N)c1noc(-c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C9H9Br2N3OS/c1-9(2,12)8-13-7(15-14-8)5-3-4(10)6(11)16-5/h3H,12H2,1-2H3
InChIKeyXPOZPRWPEIZOMJ-UHFFFAOYSA-N
XLogP3.52
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.07
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 80538836) is 2-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(C)(N)c1noc(-c2cc(Br)c(Br)s2)n1.
What is the InChIKey of 2-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is XPOZPRWPEIZOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2N3OS/c1-9(2,12)8-13-7(15-14-8)5-3-4(10)6(11)16-5/h3H,12H2,1-2H3.
What are the key properties of 2-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 367.07 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4,5-dibromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 80538836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).