Home Other Building Blocks 1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one

1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one

CAS No.:
54001-06-8
Catalog Number:
AG01AA8H
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
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Product Description
Catalog Number:
AG01AA8H
Chemical Name:
1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
CAS Number:
54001-06-8
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
MDL Number:
MFCD07326073
IUPAC Name:
1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
InChI:
InChI=1S/C13H13NO2S/c1-8-12(9(2)15)17-13(14-8)10-4-6-11(16-3)7-5-10/h4-7H,1-3H3
InChI Key:
XYAHBKVFLNFHAX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(c(s1)C(=O)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:
247.067g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.312g/mol
Monoisotopic Mass:
247.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties