| CAS Number | 1052544-34-9 |
| Catalog Number | AG019KBJ |
| Chemical Name | 1-{[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl}piperazine hydrochloride |
| IUPAC Name | 2-(4-methoxyphenyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;hydrochloride |
| InChI | InChI=1S/C15H19N3OS.ClH/c1-19-14-4-2-12(3-5-14)15-17-13(11-20-15)10-18-8-6-16-7-9-18;/h2-5,11,16H,6-10H2,1H3;1H |
| InChI Key | GPQYLPSRVCQABZ-UHFFFAOYSA-N |
| MDL Number | MFCD08692021 |
| Molecular Formula | C15H20ClN3OS |
| Molecular Weight | 325.8568 |
| SMILES | Cl.COC1=CC=C(C2SC=C(CN3CCNCC3)N=2)C=C1 |
| Synonyms | 1-{[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl}piperazine hydrochloride,
1052544-34-9,
AC1Q3C2Y,
CTK7A3468,
MCULE-2448475063,
NE32899,
EN300-26289,
Z221603946,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.855g/mol |
| Monoisotopic Mass | 325.102g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 65.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number