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

• ChemBase ID: 241257
• Molecular Formular: C6H10N2S
• Molecular Mass: 142.222
• Monoisotopic Mass: 142.05646933
• SMILES: n1c(sc(c1)CCN)C
• Canonical SMILES: Cc1ncc(s1)CCN
• InChI: InChI=1S/C6H10N2S/c1-5-8-4-6(9-5)2-3-7/h4H,2-3,7H2,1H3
• InChIKey: CFZFHXGVDUYSJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD17276226
• PubChem SID: 164297167
• PubChem CID: 53719096

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6979055
• LogD (pH = 7.4): -1.7788934
• Log P: 0.3019724
• Molar Refractivity: 38.83 cm^3
• Polarizability: 14.99485 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.276

Product Information

• Purity: 95%