| CAS Number | 885527-33-3 |
| Catalog Number | AG019M53 |
| Chemical Name | 5-Chloro-2-(piperidin-4-yl)-1,3-benzothiazole |
| IUPAC Name | 5-chloro-2-piperidin-4-yl-1,3-benzothiazole |
| InChI | InChI=1S/C12H13ClN2S/c13-9-1-2-11-10(7-9)15-12(16-11)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2 |
| InChI Key | RJJINACFKMZRQI-UHFFFAOYSA-N |
| MDL Number | MFCD08271867 |
| Molecular Formula | C12H13ClN2S |
| Molecular Weight | 252.7630 |
| SMILES | ClC1=CC2=C(SC(C3CCNCC3)=N2)C=C1 |
| Synonyms | 5-chloro-2-(piperidin-4-yl)-1,3-benzothiazole,
885527-33-3,
AC1OFMPT,
CHEMBL1626383,
SCHEMBL12209530,
ZINC4219235,
AKOS000119233,
MCULE-3108438519,
NE42454,
5-chloro-2-piperidin-4-yl-1,3-benzothiazole,
5-chloro-2-(4-piperidyl)benzothiazole,
CID7131991,
Benzothiazole, 5-chloro-2-(4-piperidinyl),
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.76g/mol |
| Monoisotopic Mass | 252.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number