Home Aldehydes 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde

2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde

CAS No.:
1464162-84-2
Catalog Number:
AG01B9EC
Molecular Formula:
C10H12F3N3OS
Molecular Weight:
279.2820
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Product Description
Catalog Number:
AG01B9EC
Chemical Name:
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde
CAS Number:
1464162-84-2
Molecular Formula:
C10H12F3N3OS
Molecular Weight:
279.2820
MDL Number:
MFCD17150445
IUPAC Name:
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C10H12F3N3OS/c11-10(12,13)7-15-1-3-16(4-2-15)9-14-5-8(6-17)18-9/h5-6H,1-4,7H2
InChI Key:
HUUKKJQRNBUNTE-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(s1)N1CCN(CC1)CC(F)(F)F
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.065g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.281g/mol
Monoisotopic Mass:
279.065g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties