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881028-31-5 | Acetamide, N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2-thiazolyl]-
CAS No: 881028-31-5 Catalog No: AG008CIB MDL No:
Product Description
Catalog Number:
AG008CIB
Chemical Name:
Acetamide, N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2-thiazolyl]-
CAS Number:
881028-31-5
Molecular Formula:
C14H12N4O2S
Molecular Weight:
300.3357
IUPAC Name:
N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
InChI:
InChI=1S/C14H12N4O2S/c1-8(19)15-14-17-11(10-6-4-3-5-7-10)12(21-14)13-16-9(2)20-18-13/h3-7H,1-2H3,(H,15,17,19)
InChI Key:
MBOQNIDBHUJTDE-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1nc(c(s1)c1noc(n1)C)c1ccccc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.336g/mol
Monoisotopic Mass:
300.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Hit-to-lead optimization of a series of carboxamides of ethyl 2-amino-4-phenylthiazole-5-carboxylates as novel adenosine A2A receptor antagonists. | Bioorganic & medicinal chemistry letters 20100901 |
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