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

• ChemBase ID: 804838
• Molecular Formular: C14H23BN2O2S
• Molecular Mass: 294.22062
• Monoisotopic Mass: 294.15732939
• SMILES: CC1(C)OB(OC1(C)C)c1nc(sc1)N1CCCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1csc(n1)N1CCCCC1
• InChI: InChI=1S/C14H23BN2O2S/c1-13(2)14(3,4)19-15(18-13)11-10-20-12(16-11)17-8-6-5-7-9-17/h10H,5-9H2,1-4H3
• InChIKey: TVOGDFIGUXWWCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.844954
• LogD (pH = 7.4): 4.845098
• Log P: 4.8451
• Molar Refractivity: 77.2789 cm^3
• Polarizability: 31.411446 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%