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

C11H9BrFNOS — CID 68859409

IUPAC1-(4-bromo-2-fluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone
SMILESO=C(CN1C=CSC1)c1ccc(Br)cc1F
InChIInChI=1S/C11H9BrFNOS/c12-8-1-2-9(10(13)5-8)11(15)6-14-3-4-16-7-14/h1-5H,6-7H2
InChIKeyWKQPSKICAJAAGP-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.25
Rot. Bonds3

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

1-(4-bromo-2-fluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone (PubChem CID 68859409) has the molecular formula C11H9BrFNOS and a molecular weight of 302.17 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone
PubChem CID68859409
Molecular FormulaC11H9BrFNOS
Molecular Weight302.17 g/mol
Exact Mass300.96
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone
SMILESO=C(CN1C=CSC1)c1ccc(Br)cc1F
InChIInChI=1S/C11H9BrFNOS/c12-8-1-2-9(10(13)5-8)11(15)6-14-3-4-16-7-14/h1-5H,6-7H2
InChIKeyWKQPSKICAJAAGP-UHFFFAOYSA-N
XLogP3.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-Bromophenyl)-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 3810884
Acetamide, N-[3-[2-(4-bromophenyl)-2-oxoethyl]-2(3H)-thiazolylidene]-
CID 4058798
(2E)-1-(4-Bromo-2-fluorophenyl)-3-(dimethylamino)prop-2-EN-1-one
CID 82967728
(2Z)-2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 2400865
1-phenyl-2-(2H-1,3-thiazol-3-yl)ethanone
CID 57119241
Ethanone, 1-(4-bromophenyl)-2-(2-imino-3(2H)-thiazolyl)-
CID 2317913
1-(2,4-difluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone
CID 67571267
1-(4-fluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone
CID 69978901
1-(4-Bromo-2-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 70061872
1-(4-Bromo-2-fluorophenyl)-2-(methylamino)ethan-1-one
CID 83722507
2-[Bis(prop-2-enyl)amino]-1-(5-bromo-2-fluorophenyl)ethanone
CID 122442523
CID 137701324
CID 137701324

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone (CID 68859409) is 1-(4-bromo-2-fluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone is O=C(CN1C=CSC1)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone?
The InChIKey is WKQPSKICAJAAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNOS/c12-8-1-2-9(10(13)5-8)11(15)6-14-3-4-16-7-14/h1-5H,6-7H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone?
1-(4-bromo-2-fluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone has a molecular weight of 302.17 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-(2H-1,3-thiazol-3-yl)ethanone is sourced from PubChem (CID 68859409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).