N-cyclohexyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine

• ChemBase ID: 804903
• Molecular Formular: C15H25BN2O2S
• Molecular Mass: 308.2472
• Monoisotopic Mass: 308.17297945
• SMILES: CC1(C)OB(OC1(C)C)c1nc(sc1)NC1CCCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1csc(n1)NC1CCCCC1
• InChI: InChI=1S/C15H25BN2O2S/c1-14(2)15(3,4)20-16(19-14)12-10-21-13(18-12)17-11-8-6-5-7-9-11/h10-11H,5-9H2,1-4H3,(H,17,18)
• InChIKey: BYXIIGBYRFCCHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine
• IUPAC Traditional name: N-cyclohexyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-amine
• Synonyms: 2-(CYCLOHEXYLAMINO)THIAZOLE-4-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• Acid pKa: 15.144769
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 5.0168896
• LogD (pH = 7.4): 5.0177884
• Log P: 5.0178
• Molar Refractivity: 81.9163 cm^3
• Polarizability: 33.249237 Å^3
• Polar Surface Area: 43.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%