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879547-27-0 | Pyrazinecarboxamide, 6-chloro-5-(1,1-dimethylethyl)-N-2-thiazolyl-
CAS No: 879547-27-0 Catalog No: AG004D4I MDL No:
Product Description
Catalog Number:
AG004D4I
Chemical Name:
Pyrazinecarboxamide, 6-chloro-5-(1,1-dimethylethyl)-N-2-thiazolyl-
CAS Number:
879547-27-0
Molecular Formula:
C12H13ClN4OS
Molecular Weight:
296.7758
IUPAC Name:
5-tert-butyl-6-chloro-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide
InChI:
InChI=1S/C12H13ClN4OS/c1-12(2,3)8-9(13)16-7(6-15-8)10(18)17-11-14-4-5-19-11/h4-6H,1-3H3,(H,14,17,18)
InChI Key:
ZZSJBWFGKSYXAT-UHFFFAOYSA-N
SMILES:
O=C(c1cnc(c(n1)Cl)C(C)(C)C)Nc1nccs1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.05g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.773g/mol
Monoisotopic Mass:
296.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Substituted pyrazinecarboxamides: synthesis and biological evaluation. | Molecules (Basel, Switzerland) 20060329 |
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