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851169-55-6 | 2-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CAS No: 851169-55-6 Catalog No: AG019ISS MDL No:MFCD06654978
Product Description
Catalog Number:
AG019ISS
Chemical Name:
2-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CAS Number:
851169-55-6
Molecular Formula:
C15H15N3OS
Molecular Weight:
285.3641
MDL Number:
MFCD06654978
IUPAC Name:
2-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
InChI:
InChI=1S/C15H15N3OS/c1-9-6-11(3)12(7-10(9)2)13-8-20-15(17-13)18-14(19)4-5-16/h6-8H,4H2,1-3H3,(H,17,18,19)
InChI Key:
NWUVZUGPKNSVGU-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1scc(n1)c1cc(C)c(cc1C)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.365g/mol
Monoisotopic Mass:
285.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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