2-bromo-1-(5-bromo-1,3-thiazol-2-yl)ethanone

C5H3Br2NOS — CID 58427110

IUPAC2-bromo-1-(5-bromo-1,3-thiazol-2-yl)ethanone
SMILESO=C(CBr)c1ncc(Br)s1
InChIInChI=1S/C5H3Br2NOS/c6-1-3(9)5-8-2-4(7)10-5/h2H,1H2
InChIKeyJHMNCFKJVTWCJY-UHFFFAOYSA-N
MW284.96 g/mol
LogP2.48
Rot. Bonds2

About 2-bromo-1-(5-bromo-1,3-thiazol-2-yl)ethanone

2-bromo-1-(5-bromo-1,3-thiazol-2-yl)ethanone (PubChem CID 58427110) has the molecular formula C5H3Br2NOS and a molecular weight of 284.96 g/mol. Its IUPAC name is 2-bromo-1-(5-bromo-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(5-bromo-1,3-thiazol-2-yl)ethanone
PubChem CID58427110
Molecular FormulaC5H3Br2NOS
Molecular Weight284.96 g/mol
Exact Mass282.83
IUPAC Name2-bromo-1-(5-bromo-1,3-thiazol-2-yl)ethanone
SMILESO=C(CBr)c1ncc(Br)s1
InChIInChI=1S/C5H3Br2NOS/c6-1-3(9)5-8-2-4(7)10-5/h2H,1H2
InChIKeyJHMNCFKJVTWCJY-UHFFFAOYSA-N
XLogP2.48
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.96
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(5-bromo-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-bromo-1-(5-bromo-1,3-thiazol-2-yl)ethanone (CID 58427110) is 2-bromo-1-(5-bromo-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(5-bromo-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-bromo-1-(5-bromo-1,3-thiazol-2-yl)ethanone is O=C(CBr)c1ncc(Br)s1.
What is the InChIKey of 2-bromo-1-(5-bromo-1,3-thiazol-2-yl)ethanone?
The InChIKey is JHMNCFKJVTWCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Br2NOS/c6-1-3(9)5-8-2-4(7)10-5/h2H,1H2.
What are the key properties of 2-bromo-1-(5-bromo-1,3-thiazol-2-yl)ethanone?
2-bromo-1-(5-bromo-1,3-thiazol-2-yl)ethanone has a molecular weight of 284.96 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(5-bromo-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 58427110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).