| CAS Number | 1234569-09-5 |
| Catalog Number | AG01ENJ5(AGN-PC-3H45N1) |
| Chemical Name | 4-(Piperidin-1-yl)-1,2,5-thiadiazol-3-ylpiperidine-1-carboxylate |
| IUPAC Name | (4-piperidin-1-yl-1,2,5-thiadiazol-3-yl) piperidine-1-carboxylate |
| InChI | InChI=1S/C13H20N4O2S/c18-13(17-9-5-2-6-10-17)19-12-11(14-20-15-12)16-7-3-1-4-8-16/h1-10H2 |
| InChI Key | PNYYVHOTXOEBEV-UHFFFAOYSA-N |
| MDL Number | MFCD31544494 |
| Molecular Formula | C13H20N4O2S |
| Molecular Weight | 296.3885 |
| SMILES | O=C(N1CCCCC1)OC2=NSN=C2N3CCCCC3 |
| Synonyms | lalistat 2,
Lalistat 2,
CHEMBL1085857,
4-(Piperidin-1-yl)-1,2,5-thiadiazol-3-yl piperidine-1-carboxylate,
1234569-09-5,
SCHEMBL17078239,
Lalistat 2, >=98% (HPLC),
BDBM50318691,
AKOS032962874,
J3.628.568K,
4-(Piperidin-1-yl)-1,2,5-thiadiazol-3-ylpiperidine-1-carboxylate,
1-Piperidinecarboxylic acid 3-(1-piperidinyl)-1,2,5-thiadiazole-4-yl ester,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.389g/mol |
| Monoisotopic Mass | 296.131g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 86.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number