| CAS Number | 1941048-24-3 |
| Catalog Number | AG01EHUN |
| Chemical Name | 1-{[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl}piperazine dihydrochloride |
| 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 |
| MDL Number | MFCD31629300 |
| Molecular Formula | C9H14Cl2F3N3S |
| Molecular Weight | 324.1938 |
| SMILES | Cl.Cl.FC(C1N=C(CN2CCNCC2)SC=1)(F)F |
| Synonyms | AKOS026820655,
1-{[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl}piperazine dihydrochloride,
1941048-24-3,
|
| 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 |
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