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878018-74-7 | Thiazole, 2-bromo-4-[(3-fluorophenyl)ethynyl]-
CAS No: 878018-74-7 Catalog No: AG004F84 MDL No:
Product Description
Catalog Number:
AG004F84
Chemical Name:
Thiazole, 2-bromo-4-[(3-fluorophenyl)ethynyl]-
CAS Number:
878018-74-7
Molecular Formula:
C11H5BrFNS
Molecular Weight:
282.1315
IUPAC Name:
2-bromo-4-[2-(3-fluorophenyl)ethynyl]-1,3-thiazole
InChI:
InChI=1S/C11H5BrFNS/c12-11-14-10(7-15-11)5-4-8-2-1-3-9(13)6-8/h1-3,6-7H
InChI Key:
XPOUXVRKZDTDJY-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)C#Cc1csc(n1)Br
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.931g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.13g/mol
Monoisotopic Mass:
280.931g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Synthesis and structure-activity relationships of 3-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine analogues as potent, noncompetitive metabotropic glutamate receptor subtype 5 antagonists; search for cocaine medications. | Journal of medicinal chemistry 20060209 |
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