1-(5-bromo-2-phenyl-1,3-thiazol-4-yl)ethanone

C11H8BrNOS — CID 608664

IUPAC1-(5-bromo-2-phenyl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1nc(-c2ccccc2)sc1Br
InChIInChI=1S/C11H8BrNOS/c1-7(14)9-10(12)15-11(13-9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyFHGUZTDYHWCCGU-UHFFFAOYSA-N
MW282.16 g/mol
LogP3.78
Rot. Bonds2

About 1-(5-bromo-2-phenyl-1,3-thiazol-4-yl)ethanone

1-(5-bromo-2-phenyl-1,3-thiazol-4-yl)ethanone (PubChem CID 608664) has the molecular formula C11H8BrNOS and a molecular weight of 282.16 g/mol. Its IUPAC name is 1-(5-bromo-2-phenyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-phenyl-1,3-thiazol-4-yl)ethanone
PubChem CID608664
Molecular FormulaC11H8BrNOS
Molecular Weight282.16 g/mol
Exact Mass280.95
IUPAC Name1-(5-bromo-2-phenyl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1nc(-c2ccccc2)sc1Br
InChIInChI=1S/C11H8BrNOS/c1-7(14)9-10(12)15-11(13-9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyFHGUZTDYHWCCGU-UHFFFAOYSA-N
XLogP3.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.16
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-phenyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(5-bromo-2-phenyl-1,3-thiazol-4-yl)ethanone (CID 608664) is 1-(5-bromo-2-phenyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-bromo-2-phenyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(5-bromo-2-phenyl-1,3-thiazol-4-yl)ethanone is CC(=O)c1nc(-c2ccccc2)sc1Br.
What is the InChIKey of 1-(5-bromo-2-phenyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is FHGUZTDYHWCCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNOS/c1-7(14)9-10(12)15-11(13-9)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 1-(5-bromo-2-phenyl-1,3-thiazol-4-yl)ethanone?
1-(5-bromo-2-phenyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 282.16 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-phenyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 608664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).