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879547-26-9 | Pyrazinecarboxamide, 5-(1,1-dimethylethyl)-N-2-thiazolyl-
CAS No: 879547-26-9 Catalog No: AG008BXV MDL No:
Product Description
Catalog Number:
AG008BXV
Chemical Name:
Pyrazinecarboxamide, 5-(1,1-dimethylethyl)-N-2-thiazolyl-
CAS Number:
879547-26-9
Molecular Formula:
C12H14N4OS
Molecular Weight:
262.3308
IUPAC Name:
5-tert-butyl-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide
InChI:
InChI=1S/C12H14N4OS/c1-12(2,3)9-7-14-8(6-15-9)10(17)16-11-13-4-5-18-11/h4-7H,1-3H3,(H,13,16,17)
InChI Key:
SSQVVCGCKBZHPP-UHFFFAOYSA-N
SMILES:
O=C(c1cnc(cn1)C(C)(C)C)Nc1nccs1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.089g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.331g/mol
Monoisotopic Mass:
262.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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