Home Other Building Blocks 1-([4-(TRIFLUOROMETHYL)-1,3-THIAZOL-2-YL]METHYL)PIPERAZINE

1-([4-(TRIFLUOROMETHYL)-1,3-THIAZOL-2-YL]METHYL)PIPERAZINE

CAS No.:
1342639-02-4
Catalog Number:
AG01EJ5N
Molecular Formula:
C9H12F3N3S
Molecular Weight:
251.2719
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Product Description
Catalog Number:
AG01EJ5N
Chemical Name:
1-([4-(TRIFLUOROMETHYL)-1,3-THIAZOL-2-YL]METHYL)PIPERAZINE
CAS Number:
1342639-02-4
Molecular Formula:
C9H12F3N3S
Molecular Weight:
251.2719
MDL Number:
MFCD18333961
IUPAC Name:
2-(piperazin-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazole
InChI:
InChI=1S/C9H12F3N3S/c10-9(11,12)7-6-16-8(14-7)5-15-3-1-13-2-4-15/h6,13H,1-5H2
InChI Key:
UGZUITLNODVGHC-UHFFFAOYSA-N
SMILES:
FC(c1csc(n1)CN1CCNCC1)(F)F
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.07g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.271g/mol
Monoisotopic Mass:
251.07g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties