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879547-29-2 | Pyrazinecarboxamide, 5-(1,1-dimethylethyl)-N-(4-methyl-2-thiazolyl)-
CAS No: 879547-29-2 Catalog No: AG004G9T MDL No:
Product Description
Catalog Number:
AG004G9T
Chemical Name:
Pyrazinecarboxamide, 5-(1,1-dimethylethyl)-N-(4-methyl-2-thiazolyl)-
CAS Number:
879547-29-2
Molecular Formula:
C13H16N4OS
Molecular Weight:
276.3573
IUPAC Name:
5-tert-butyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
InChI:
InChI=1S/C13H16N4OS/c1-8-7-19-12(16-8)17-11(18)9-5-15-10(6-14-9)13(2,3)4/h5-7H,1-4H3,(H,16,17,18)
InChI Key:
IOIHKAYBFRWHBY-UHFFFAOYSA-N
SMILES:
Cc1csc(n1)NC(=O)c1cnc(cn1)C(C)(C)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.358g/mol
Monoisotopic Mass:
276.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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