[2-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine

C9H9BrN2OS — CID 79997384

IUPAC[2-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine
SMILESCc1cc(-c2nc(CN)co2)sc1Br
InChIInChI=1S/C9H9BrN2OS/c1-5-2-7(14-8(5)10)9-12-6(3-11)4-13-9/h2,4H,3,11H2,1H3
InChIKeyABOFIYNRMIKNDZ-UHFFFAOYSA-N
MW273.15 g/mol
LogP2.93
Rot. Bonds2

About [2-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine

[2-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine (PubChem CID 79997384) has the molecular formula C9H9BrN2OS and a molecular weight of 273.15 g/mol. Its IUPAC name is [2-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine
PubChem CID79997384
Molecular FormulaC9H9BrN2OS
Molecular Weight273.15 g/mol
Exact Mass271.96
IUPAC Name[2-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine
SMILESCc1cc(-c2nc(CN)co2)sc1Br
InChIInChI=1S/C9H9BrN2OS/c1-5-2-7(14-8(5)10)9-12-6(3-11)4-13-9/h2,4H,3,11H2,1H3
InChIKeyABOFIYNRMIKNDZ-UHFFFAOYSA-N
XLogP2.93
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine (CID 79997384) is [2-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine is Cc1cc(-c2nc(CN)co2)sc1Br.
What is the InChIKey of [2-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is ABOFIYNRMIKNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c1-5-2-7(14-8(5)10)9-12-6(3-11)4-13-9/h2,4H,3,11H2,1H3.
What are the key properties of [2-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine?
[2-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 273.15 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 79997384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).