4-methyl-1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperidine

• ChemBase ID: 804899
• Molecular Formular: C15H25BN2O2S
• Molecular Mass: 308.2472
• Monoisotopic Mass: 308.17297945
• SMILES: CC1(C)OB(OC1(C)C)c1nc(sc1)N1CCC(CC1)C
• Canonical SMILES: CC1CCN(CC1)c1scc(n1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C15H25BN2O2S/c1-11-6-8-18(9-7-11)13-17-12(10-21-13)16-19-14(2,3)15(4,5)20-16/h10-11H,6-9H2,1-5H3
• InChIKey: DRJRWENMIHPXGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperidine
• IUPAC Traditional name: 4-methyl-1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperidine
• Synonyms: 2-(4-METHYLPIPERIDIN-1-YL)THIAZOLE-4-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.175454
• LogD (pH = 7.4): 5.175598
• Log P: 5.1756
• Molar Refractivity: 81.8275 cm^3
• Polarizability: 33.249363 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%