Home Other Building Blocks 5-{[3,5-bis(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-amine

5-{[3,5-bis(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-amine

CAS No.:
937631-44-2
Catalog Number:
AG019KV5
Molecular Formula:
C12H8F6N2S
Molecular Weight:
326.2607
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Product Description
Catalog Number:
AG019KV5
Chemical Name:
5-{[3,5-bis(trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-amine
CAS Number:
937631-44-2
Molecular Formula:
C12H8F6N2S
Molecular Weight:
326.2607
MDL Number:
MFCD09051004
IUPAC Name:
5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
InChI:
InChI=1S/C12H8F6N2S/c13-11(14,15)7-1-6(2-8(4-7)12(16,17)18)3-9-5-20-10(19)21-9/h1-2,4-5H,3H2,(H2,19,20)
InChI Key:
QFHJKQGGANUREI-UHFFFAOYSA-N
SMILES:
FC(c1cc(Cc2cnc(s2)N)cc(c1)C(F)(F)F)(F)F
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.031g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
326.26g/mol
Monoisotopic Mass:
326.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties