2-(dimethyl-1,3-thiazol-5-yl)ethan-1-amine

• ChemBase ID: 272215
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: n1c(c(sc1C)CCN)C
• Canonical SMILES: Cc1nc(sc1CCN)C
• InChI: InChI=1S/C7H12N2S/c1-5-7(3-4-8)10-6(2)9-5/h3-4,8H2,1-2H3
• InChIKey: VPRBZFPSDKDVFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethyl-1,3-thiazol-5-yl)ethan-1-amine
• IUPAC Traditional name: 2-(dimethyl-1,3-thiazol-5-yl)ethanamine
• Synonyms: 2-(2,4-dimethyl-1,3-thiazol-5-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD03011602
• PubChem SID: 164328125
• PubChem CID: 15670034

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5685043
• LogD (pH = 7.4): -1.6880193
• Log P: 0.43334255
• Molar Refractivity: 43.4215 cm^3
• Polarizability: 16.74967 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.725

Product Information

• Purity: 95%