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

• ChemBase ID: 278788
• Molecular Formular: C7H12N2S
• Molecular Mass: 156.24858
• Monoisotopic Mass: 156.07211939
• SMILES: n1c(sc(c1C)C)CCN
• Canonical SMILES: NCCc1sc(c(n1)C)C
• InChI: InChI=1S/C7H12N2S/c1-5-6(2)10-7(9-5)3-4-8/h3-4,8H2,1-2H3
• InChIKey: GFCRMFXEIQUDDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 924866-03-5
• MDL Number: MFCD08687691
• PubChem SID: 164334698
• PubChem CID: 9079481

CALCULATED PROPERTIES

• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1402736
• LogD (pH = 7.4): -1.1597975
• Log P: 0.8452172
• Molar Refractivity: 43.414 cm^3
• Polarizability: 16.75003 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.725

Product Information

• Purity: 95%