4-{[(tert-butyldimethylsilyl)oxy]methyl}-1,3-thiazol-2-amine

• ChemBase ID: 159875
• Molecular Formular: C10H20N2OSSi
• Molecular Mass: 244.4291
• Monoisotopic Mass: 244.1065608
• SMILES: n1c(scc1CO[Si](C(C)(C)C)(C)C)N
• Canonical SMILES: CC([Si](OCc1csc(n1)N)(C)C)(C)C
• InChI: InChI=1S/C10H20N2OSSi/c1-10(2,3)15(4,5)13-6-8-7-14-9(11)12-8/h7H,6H2,1-5H3,(H2,11,12)
• InChIKey: YWZBIUXXDBHULO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[(tert-butyldimethylsilyl)oxy]methyl}-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-{[(tert-butyldimethylsilyl)oxy]methyl}-1,3-thiazol-2-amine
• Synonyms: 4-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]-2-thiazolamine; 2-Amino-4-tert-butyldimethylsilyloxy-methyl-thiazole

Database IDs

• CAS Number: 752241-92-2
• PubChem SID: 162254010
• PubChem CID: 23092994

CALCULATED PROPERTIES

• Acid pKa: 16.62639
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6829922
• LogD (pH = 7.4): 2.7014592
• Log P: 2.7017
• Molar Refractivity: 61.5819 cm^3
• Polarizability: 25.76406 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Methanol
• Apperance: Pale Yellow Oil