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851169-60-3 | N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cyanoacetamide
CAS No: 851169-60-3 Catalog No: AG019IUJ MDL No:MFCD06655001
Product Description
Catalog Number:
AG019IUJ
Chemical Name:
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cyanoacetamide
CAS Number:
851169-60-3
Molecular Formula:
C10H13N3OS
Molecular Weight:
223.2947
MDL Number:
MFCD06655001
IUPAC Name:
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-cyanoacetamide
InChI:
InChI=1S/C10H13N3OS/c1-10(2,3)7-6-15-9(12-7)13-8(14)4-5-11/h6H,4H2,1-3H3,(H,12,13,14)
InChI Key:
KELKOCKBZGULER-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1scc(n1)C(C)(C)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.078g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.294g/mol
Monoisotopic Mass:
223.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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