Home Other Building Blocks 1-{[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl}piperazine dihydrochloride

1-{[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl}piperazine dihydrochloride

CAS No.:
1941048-24-3
Catalog Number:
AG01EHUN
Molecular Formula:
C9H14Cl2F3N3S
Molecular Weight:
324.1938
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Product Description
Catalog Number:
AG01EHUN
Chemical Name:
1-{[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl}piperazine dihydrochloride
CAS Number:
1941048-24-3
Molecular Formula:
C9H14Cl2F3N3S
Molecular Weight:
324.1938
MDL Number:
MFCD31629300
IUPAC Name:
2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole;dihydrochloride
InChI:
InChI=1S/C9H12F3N3S.2ClH/c10-9(11,12)7-6-16-8(14-7)5-15-3-1-13-2-4-15;;/h6,13H,1-5H2;2*1H
InChI Key:
XFVLGPDJEOSXRO-UHFFFAOYSA-N
SMILES:
FC(c1csc(n1)CN1CCNCC1)(F)F.Cl.Cl
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.024g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
324.187g/mol
Monoisotopic Mass:
323.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties