(2-amino-5-tert-butyl-1,3-thiazol-4-yl)methanol

• ChemBase ID: 814593
• Molecular Formular: C8H14N2OS
• Molecular Mass: 186.27456
• Monoisotopic Mass: 186.08268408
• SMILES: C(O)c1nc(sc1C(C)(C)C)N
• Canonical SMILES: OCc1nc(sc1C(C)(C)C)N
• InChI: InChI=1S/C8H14N2OS/c1-8(2,3)6-5(4-11)10-7(9)12-6/h11H,4H2,1-3H3,(H2,9,10)
• InChIKey: TVVJVFNSZZTTTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-5-tert-butyl-1,3-thiazol-4-yl)methanol
• IUPAC Traditional name: (2-amino-5-tert-butyl-1,3-thiazol-4-yl)methanol
• Synonyms: (2-amino-5-tert-butylthiazol-4-yl)methanol

Database IDs

• CAS Number: 1196152-47-2

CALCULATED PROPERTIES

• Acid pKa: 14.002821
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4402249
• LogD (pH = 7.4): 1.4784689
• Log P: 1.4789804
• Molar Refractivity: 50.1838 cm^3
• Polarizability: 19.007864 Å^3
• Polar Surface Area: 59.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%