5-(2-methylpropyl)-1,3-thiazol-2-amine

• ChemBase ID: 238606
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: c1(ncc(s1)CC(C)C)N
• Canonical SMILES: CC(Cc1cnc(s1)N)C
• InChI: InChI=1S/C7H12N2S/c1-5(2)3-6-4-9-7(8)10-6/h4-5H,3H2,1-2H3,(H2,8,9)
• InChIKey: HJPHDUJIOVUDFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-methylpropyl)-1,3-thiazol-2-amine
• IUPAC Traditional name: 5-(2-methylpropyl)-1,3-thiazol-2-amine
• Synonyms: 5-(2-methylpropyl)-1,3-thiazol-2-amine

Database IDs

• MDL Number: MFCD18816985
• PubChem SID: 164294516
• PubChem CID: 22170629

CALCULATED PROPERTIES

• Acid pKa: 17.689835
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0405488
• LogD (pH = 7.4): 2.3043275
• Log P: 2.3093798
• Molar Refractivity: 44.17 cm^3
• Polarizability: 16.525185 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.185

Product Information

• Purity: 95%