| CAS Number | 1159815-51-6 |
| Catalog Number | AG000HAP(AGN-PC-07HAEA) |
| Chemical Name | Piperidine, 4-(4-bromo-2-thiazolyl)- |
| IUPAC Name | 4-bromo-2-piperidin-4-yl-1,3-thiazole |
| InChI | InChI=1S/C8H11BrN2S/c9-7-5-12-8(11-7)6-1-3-10-4-2-6/h5-6,10H,1-4H2 |
| InChI Key | ZBFMWLRBFKKZJC-UHFFFAOYSA-N |
| MDL Number | MFCD12033528 |
| Molecular Formula | C8H11BrN2S |
| Molecular Weight | 247.1553 |
| SMILES | Brc1csc(n1)C1CCNCC1 |
| Synonyms | 4-Bromo-2-(piperidin-4-yl)thiazole,
1159815-51-6,
ACMC-20e7fr,
CTK4A9587,
DTXSID20671776,
MFCD12033528,
ZINC44122186,
AKOS015835717,
RP28769,
RTX-012680,
KS-000001B0,
Piperidine, 4-(4-bromo-2-thiazolyl)-,
4-(4-Bromo-1,3-thiazol-2-yl)piperidine,
J-514586,
2-(4-chlorophenyl)propan-1-amine,
4806-79-5,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.154g/mol |
| Monoisotopic Mass | 245.983g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number