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

C12H9BrFNOS — CID 105118265

IUPAC2-(3-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCc1ncsc1C(=O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C12H9BrFNOS/c1-7-12(17-6-15-7)11(16)4-8-2-9(13)5-10(14)3-8/h2-3,5-6H,4H2,1H3
InChIKeyODDPPCDHPZTRGB-UHFFFAOYSA-N
MW314.18 g/mol
LogP3.78
Rot. Bonds3

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

2-(3-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone (PubChem CID 105118265) has the molecular formula C12H9BrFNOS and a molecular weight of 314.18 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
PubChem CID105118265
Molecular FormulaC12H9BrFNOS
Molecular Weight314.18 g/mol
Exact Mass312.96
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
SMILESCc1ncsc1C(=O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C12H9BrFNOS/c1-7-12(17-6-15-7)11(16)4-8-2-9(13)5-10(14)3-8/h2-3,5-6H,4H2,1H3
InChIKeyODDPPCDHPZTRGB-UHFFFAOYSA-N
XLogP3.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105078465
2-(3-bromo-5-fluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanone
CID 105118151
2-(2-bromo-3-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105121373
2-(3-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanone
CID 79701233
2-(5-chloro-2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 103052577
2-(2-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105079227
2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 79701083
(3,5-difluorophenyl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 105095190
2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115786719
2-(3-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 107967710
1-(3-bromo-5-fluorophenyl)-3-methylbut-3-en-2-one
CID 103446397
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412124

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone (CID 105118265) is 2-(3-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone is Cc1ncsc1C(=O)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is ODDPPCDHPZTRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNOS/c1-7-12(17-6-15-7)11(16)4-8-2-9(13)5-10(14)3-8/h2-3,5-6H,4H2,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone?
2-(3-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 314.18 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 105118265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).