2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine

• ChemBase ID: 258945
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: c1(nc(cs1)C)C(N)(C)C
• Canonical SMILES: Cc1csc(n1)C(N)(C)C
• InChI: InChI=1S/C7H12N2S/c1-5-4-10-6(9-5)7(2,3)8/h4H,8H2,1-3H3
• InChIKey: QAMMWXBMUFXQEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
• IUPAC Traditional name: 2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
• Synonyms: 2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine

Database IDs

• MDL Number: MFCD11587498
• PubChem SID: 164314855
• PubChem CID: 28286206

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7342532
• LogD (pH = 7.4): -0.13397555
• Log P: 0.9638738
• Molar Refractivity: 42.8655 cm^3
• Polarizability: 16.909723 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.645

Product Information

• Purity: 95%