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

• ChemBase ID: 804202
• Molecular Formular: C14H24BN3O2S
• Molecular Mass: 309.23526
• Monoisotopic Mass: 309.16822842
• SMILES: CC1(C)OB(OC1(C)C)c1nc(sc1)N1CCN(CC1)C
• Canonical SMILES: CN1CCN(CC1)c1scc(n1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C14H24BN3O2S/c1-13(2)14(3,4)20-15(19-13)11-10-21-12(16-11)18-8-6-17(5)7-9-18/h10H,6-9H2,1-5H3
• InChIKey: NKHYYFIRPIZBFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.5484138
• LogD (pH = 7.4): 3.814702
• Log P: 3.9245
• Molar Refractivity: 81.187 cm^3
• Polarizability: 32.940407 Å^3
• Polar Surface Area: 37.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%