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

C10H5BrFNOS — CID 164645645

IUPAC(2-bromo-3-fluorophenyl)-(1,2-thiazol-4-yl)methanone
SMILESO=C(c1cnsc1)c1cccc(F)c1Br
InChIInChI=1S/C10H5BrFNOS/c11-9-7(2-1-3-8(9)12)10(14)6-4-13-15-5-6/h1-5H
InChIKeyQGLCOSOYPYZYHN-UHFFFAOYSA-N
MW286.12 g/mol
LogP3.28
Rot. Bonds2

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

(2-bromo-3-fluorophenyl)-(1,2-thiazol-4-yl)methanone (PubChem CID 164645645) has the molecular formula C10H5BrFNOS and a molecular weight of 286.12 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-(1,2-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-(1,2-thiazol-4-yl)methanone
PubChem CID164645645
Molecular FormulaC10H5BrFNOS
Molecular Weight286.12 g/mol
Exact Mass284.93
IUPAC Name(2-bromo-3-fluorophenyl)-(1,2-thiazol-4-yl)methanone
SMILESO=C(c1cnsc1)c1cccc(F)c1Br
InChIInChI=1S/C10H5BrFNOS/c11-9-7(2-1-3-8(9)12)10(14)6-4-13-15-5-6/h1-5H
InChIKeyQGLCOSOYPYZYHN-UHFFFAOYSA-N
XLogP3.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-fluorophenyl)-(1,2-thiazol-3-yl)methanone
CID 131042866
(2-bromo-5-chlorophenyl)-(1,2-thiazol-4-yl)methanone
CID 164645649
(2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone
CID 114970378
(2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784897
(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794634
(2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 115812909
(2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102652727
(2-bromo-3-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107515094
(2-bromo-3-fluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 114970846
(3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 104656856
(2-bromo-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762964
(2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791826

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-(1,2-thiazol-4-yl)methanone?
The IUPAC name of (2-bromo-3-fluorophenyl)-(1,2-thiazol-4-yl)methanone (CID 164645645) is (2-bromo-3-fluorophenyl)-(1,2-thiazol-4-yl)methanone.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-(1,2-thiazol-4-yl)methanone?
The canonical SMILES for (2-bromo-3-fluorophenyl)-(1,2-thiazol-4-yl)methanone is O=C(c1cnsc1)c1cccc(F)c1Br.
What is the InChIKey of (2-bromo-3-fluorophenyl)-(1,2-thiazol-4-yl)methanone?
The InChIKey is QGLCOSOYPYZYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFNOS/c11-9-7(2-1-3-8(9)12)10(14)6-4-13-15-5-6/h1-5H.
What are the key properties of (2-bromo-3-fluorophenyl)-(1,2-thiazol-4-yl)methanone?
(2-bromo-3-fluorophenyl)-(1,2-thiazol-4-yl)methanone has a molecular weight of 286.12 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-(1,2-thiazol-4-yl)methanone is sourced from PubChem (CID 164645645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).