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114171-27-6 | Ethanone, 1-[2-(dimethylamino)-4-phenyl-5-thiazolyl]-
CAS No: 114171-27-6 Catalog No: AG000APY MDL No:
Product Description
Catalog Number:
AG000APY
Chemical Name:
Ethanone, 1-[2-(dimethylamino)-4-phenyl-5-thiazolyl]-
CAS Number:
114171-27-6
Molecular Formula:
C13H14N2OS
Molecular Weight:
246.3281
IUPAC Name:
1-[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]ethanone
InChI:
InChI=1S/C13H14N2OS/c1-9(16)12-11(10-7-5-4-6-8-10)14-13(17-12)15(2)3/h4-8H,1-3H3
InChI Key:
UXDLIEMEHUDBPI-UHFFFAOYSA-N
SMILES:
CC(=O)c1sc(nc1c1ccccc1)N(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.083g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.328g/mol
Monoisotopic Mass:
246.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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