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

1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethan-1-amine

CAS No.:
1017379-98-4
Catalog Number:
AG01AGO6
Molecular Formula:
C13H16N2S
Molecular Weight:
232.3445
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Product Description
Catalog Number:
AG01AGO6
Chemical Name:
1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethan-1-amine
CAS Number:
1017379-98-4
Molecular Formula:
C13H16N2S
Molecular Weight:
232.3445
MDL Number:
MFCD09882220
IUPAC Name:
1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanamine
InChI:
InChI=1S/C13H16N2S/c1-8-4-6-11(7-5-8)13-15-10(3)12(16-13)9(2)14/h4-7,9H,14H2,1-3H3
InChI Key:
QKBJYNKBULHDDV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc(c(s1)C(N)C)C
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.103g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.345g/mol
Monoisotopic Mass:
232.103g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties