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

C11H7BrFNOS — CID 82809770

IUPAC1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H7BrFNOS/c12-8-5-7(1-2-9(8)13)10(15)6-11-14-3-4-16-11/h1-5H,6H2
InChIKeyUVOLTHKILMYGJG-UHFFFAOYSA-N
MW300.15 g/mol
LogP3.47
Rot. Bonds3

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

1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 82809770) has the molecular formula C11H7BrFNOS and a molecular weight of 300.15 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID82809770
Molecular FormulaC11H7BrFNOS
Molecular Weight300.15 g/mol
Exact Mass298.94
IUPAC Name1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H7BrFNOS/c12-8-5-7(1-2-9(8)13)10(15)6-11-14-3-4-16-11/h1-5H,6H2
InChIKeyUVOLTHKILMYGJG-UHFFFAOYSA-N
XLogP3.47
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Benzoyl-1,3-thiazole
CID 569967
6,6,6-Trifluoro-1-phenyl-4-(1,3-thiazol-2-yl)hexan-1-one
CID 164678856
5-(p-Bromobenzoyl)-2-(2-dimethylaminovinyl)thiazole
CID 139217328
1-Phenyl-2-(thiazol-2-yl)ethanone
CID 17887047
2-(4-Fluorobenzoyl)thiazole
CID 2758956
2-(5-Chloro-2-thiazolyl)-1-(4-fluorophenyl)ethanone
CID 19009264
(3,5-Difluorophenyl)(thiazol-2-yl)methanone
CID 19426944
(3-Methylthio-5-fluorophenyl)(thiazol-2-yl)methanone
CID 19426995
5-Fluoro-3-(thiazol-2-ylcarbonyl)thiophenol
CID 19427001
1-(2,4-Difluorophenyl)-2-(1,3-thiazol-3-ium-3-yl)ethanone
CID 19591755
1-(4-Fluorophenyl)-2-(1,3-thiazol-3-ium-3-yl)ethanone
CID 22734960
(3-Fluoro-5-methylphenyl)-(1,3-thiazol-2-yl)methanone
CID 57219720

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone (CID 82809770) is 1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone is O=C(Cc1nccs1)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is UVOLTHKILMYGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrFNOS/c12-8-5-7(1-2-9(8)13)10(15)6-11-14-3-4-16-11/h1-5H,6H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone?
1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 300.15 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 82809770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).