1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone

C12H9BrFNOS — CID 116867527

IUPAC1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2cc(Br)ccc2F)c(C)s1
InChIInChI=1S/C12H9BrFNOS/c1-6(16)12-15-11(7(2)17-12)9-5-8(13)3-4-10(9)14/h3-5H,1-2H3
InChIKeyVLAXVGSOBKWYQC-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.22
Rot. Bonds2

About 1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone

1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone (PubChem CID 116867527) has the molecular formula C12H9BrFNOS and a molecular weight of 314.18 g/mol. Its IUPAC name is 1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
PubChem CID116867527
Molecular FormulaC12H9BrFNOS
Molecular Weight314.18 g/mol
Exact Mass312.96
IUPAC Name1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
SMILESCC(=O)c1nc(-c2cc(Br)ccc2F)c(C)s1
InChIInChI=1S/C12H9BrFNOS/c1-6(16)12-15-11(7(2)17-12)9-5-8(13)3-4-10(9)14/h3-5H,1-2H3
InChIKeyVLAXVGSOBKWYQC-UHFFFAOYSA-N
XLogP4.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 116867522
1-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 116867514
1-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 63525974
1-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethanone
CID 63524041
5-amino-2-(5-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 122508757
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 116890267
5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid
CID 78973993
4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-oxazol-2-amine
CID 116831868
4-(5-bromo-2-fluorophenyl)-6-chloro-2,5-dimethylpyrimidine
CID 79742433
4-(5-bromo-2-methylphenyl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 116867305
3-amino-5-(5-bromo-2-fluorophenyl)-4-methylthiophene-2-carboxylic acid
CID 83035784
1-[4-(2,5-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 116867625

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone (CID 116867527) is 1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone is CC(=O)c1nc(-c2cc(Br)ccc2F)c(C)s1.
What is the InChIKey of 1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone?
The InChIKey is VLAXVGSOBKWYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNOS/c1-6(16)12-15-11(7(2)17-12)9-5-8(13)3-4-10(9)14/h3-5H,1-2H3.
What are the key properties of 1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone?
1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone has a molecular weight of 314.18 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 116867527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).