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

• ChemBase ID: 804902
• Molecular Formular: C14H23BN2O2S
• Molecular Mass: 294.22062
• Monoisotopic Mass: 294.15732939
• SMILES: CC1(C)OB(OC1(C)C)c1nc(sc1)NC1CCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1csc(n1)NC1CCCC1
• InChI: InChI=1S/C14H23BN2O2S/c1-13(2)14(3,4)19-15(18-13)11-9-20-12(17-11)16-10-7-5-6-8-10/h9-10H,5-8H2,1-4H3,(H,16,17)
• InChIKey: HECVPCHRZYYCNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• Acid pKa: 15.144769
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.6205893
• LogD (pH = 7.4): 4.6214886
• Log P: 4.6215
• Molar Refractivity: 77.3153 cm^3
• Polarizability: 31.411324 Å^3
• Polar Surface Area: 43.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%