| CAS Number | 951259-16-8 |
| Catalog Number | AG01DWWM |
| Chemical Name | tert-butyl 4-(5-bromothiazol-2-yl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl 4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylate |
| InChI | InChI=1S/C13H19BrN2O2S/c1-13(2,3)18-12(17)16-6-4-9(5-7-16)11-15-8-10(14)19-11/h8-9H,4-7H2,1-3H3 |
| InChI Key | FJQABAIILWOQDF-UHFFFAOYSA-N |
| MDL Number | MFCD19687411 |
| Molecular Formula | C13H19BrN2O2S |
| Molecular Weight | 347.2712 |
| SMILES | BrC1=CN=C(S1)C1CCN(CC1)C(=O)OC(C)(C)C |
| Synonyms | tert-butyl 4-(5-bromothiazol-2-yl)piperidine-1-carboxylate,
951259-16-8,
SCHEMBL983152,
FJQABAIILWOQDF-UHFFFAOYSA-N,
AKOS030529155,
5-BROMO-2-(N-BOC-PIPERIDIN-4-YL)THIAZOLE,
tert-butyl 4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylate,
|
| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 346.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 347.271g/mol |
| Monoisotopic Mass | 346.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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