1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone

C12H7BrF3NOS — CID 115786406

IUPAC1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C12H7BrF3NOS/c13-9-2-1-7(12(14,15)16)5-8(9)10(18)6-11-17-3-4-19-11/h1-5H,6H2
InChIKeyDYQOOJSHNZJUPC-UHFFFAOYSA-N
MW350.16 g/mol
LogP4.35
Rot. Bonds3

About 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone

1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 115786406) has the molecular formula C12H7BrF3NOS and a molecular weight of 350.16 g/mol. Its IUPAC name is 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone
PubChem CID115786406
Molecular FormulaC12H7BrF3NOS
Molecular Weight350.16 g/mol
Exact Mass348.94
IUPAC Name1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C12H7BrF3NOS/c13-9-2-1-7(12(14,15)16)5-8(9)10(18)6-11-17-3-4-19-11/h1-5H,6H2
InChIKeyDYQOOJSHNZJUPC-UHFFFAOYSA-N
XLogP4.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 79824667
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 105014893
1-[2-[4-[6-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]phenoxy]-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone
CID 159160043
1-[2-bromo-5-(trifluoromethyl)phenyl]pent-4-en-1-one
CID 114974910
1-(4-chloro-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 112731600
ethyl 2-bromo-5-(trifluoromethyl)benzoate
CID 46311281
2-bromo-N-(1,3-thiazol-5-ylmethyl)-5-(trifluoromethyl)benzamide
CID 104579127
2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide
CID 103819616
1-(3-aminonaphthalen-2-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 116560365
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
CID 90922918
2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103819418
1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 115786541

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone (CID 115786406) is 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone is O=C(Cc1nccs1)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is DYQOOJSHNZJUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3NOS/c13-9-2-1-7(12(14,15)16)5-8(9)10(18)6-11-17-3-4-19-11/h1-5H,6H2.
What are the key properties of 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone?
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 350.16 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 115786406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).