| CAS Number | 181811-44-9 |
| Catalog Number | AG01A9UR |
| Chemical Name | 1-(1,3-Benzothiazol-2-yl)piperidine-4-carboxylic acid |
| IUPAC Name | 1-(1,3-benzothiazol-2-yl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C13H14N2O2S/c16-12(17)9-5-7-15(8-6-9)13-14-10-3-1-2-4-11(10)18-13/h1-4,9H,5-8H2,(H,16,17) |
| InChI Key | RSOHLDYQGWVCCJ-UHFFFAOYSA-N |
| MDL Number | MFCD01569454 |
| Molecular Formula | C13H14N2O2S |
| Molecular Weight | 262.3275 |
| SMILES | OC(C1CCN(C2SC3=C(C=CC=C3)N=2)CC1)=O |
| Synonyms | 1-(1,3-benzothiazol-2-yl)piperidine-4-carboxylic acid,
181811-44-9,
AC1Q74MJ,
SCHEMBL2072963,
CTK7J0101,
ZINC22215926,
AKOS000142795,
MCULE-3881534645,
NE35913,
EN300-66220,
1-(benzo[d]thiazol-2-yl)piperidine-4-carboxylic acid,
Z86239302,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.327g/mol |
| Monoisotopic Mass | 262.078g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number