| CAS Number | 1177277-61-0 |
| Catalog Number | AG01C4SM |
| Chemical Name | 1-{[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl}piperazine dihydrochloride |
| IUPAC Name | 4-(4-fluorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride |
| InChI | InChI=1S/C14H16FN3S.2ClH/c15-12-3-1-11(2-4-12)13-10-19-14(17-13)9-18-7-5-16-6-8-18;;/h1-4,10,16H,5-9H2;2*1H |
| InChI Key | ODPVXHMNEIIEKM-UHFFFAOYSA-N |
| MDL Number | MFCD10023076 |
| Molecular Formula | C14H18Cl2FN3S |
| Molecular Weight | 350.2822 |
| SMILES | Cl.Cl.FC1=CC=C(C2N=C(CN3CCNCC3)SC=2)C=C1 |
| Synonyms | 1-{[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl}piperazine dihydrochloride,
1177277-61-0,
AKOS022209311,
Z2418194172,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 349.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 350.277g/mol |
| Monoisotopic Mass | 349.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number