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

• ChemBase ID: 804837
• Molecular Formular: C13H21BN2O3S
• Molecular Mass: 296.19344
• Monoisotopic Mass: 296.13659394
• SMILES: CC1(C)OB(OC1(C)C)c1nc(sc1)N1CCOCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1csc(n1)N1CCOCC1
• InChI: InChI=1S/C13H21BN2O3S/c1-12(2)13(3,4)19-14(18-12)10-9-20-11(15-10)16-5-7-17-8-6-16/h9H,5-8H2,1-4H3
• InChIKey: CHFZTAQAQDBMHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.7804623
• LogD (pH = 7.4): 3.7805982
• Log P: 3.7806
• Molar Refractivity: 74.2114 cm^3
• Polarizability: 30.294426 Å^3
• Polar Surface Area: 43.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%