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

• ChemBase ID: 159876
• Molecular Formular: C10H20N2OSSi
• Molecular Mass: 244.4291
• Monoisotopic Mass: 244.1065608
• SMILES: n1c(sc(c1)CO[Si](C)(C)C(C)(C)C)N
• Canonical SMILES: CC([Si](OCc1cnc(s1)N)(C)C)(C)C
• InChI: InChI=1S/C10H20N2OSSi/c1-10(2,3)15(4,5)13-7-8-6-12-9(11)14-8/h6H,7H2,1-5H3,(H2,11,12)
• InChIKey: QRMXUHUAXJBDLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[(tert-butyldimethylsilyl)oxy]methyl}-1,3-thiazol-2-amine
• IUPAC Traditional name: 5-{[(tert-butyldimethylsilyl)oxy]methyl}-1,3-thiazol-2-amine
• Synonyms: 5-(tert-Butyldimethylsilyloxymethyl)thiazol-2-ylamine; 5-[[[(1,1-Dimethylethyl)dimethylsilyl]oxy]methyl]- 2-thiazolamine; 2-Amino-5-tert-butyldimethylsilyloxy-methyl-thiazole

Database IDs

• CAS Number: 1083059-77-1
• PubChem SID: 162254011
• PubChem CID: 57541328

CALCULATED PROPERTIES

• Acid pKa: 16.604376
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.656689
• LogD (pH = 7.4): 2.7039587
• Log P: 2.7046
• Molar Refractivity: 61.8882 cm^3
• Polarizability: 25.766518 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; DIchloromethane
• Apperance: Yellow Solid