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

• ChemBase ID: 275762
• Molecular Formular: C8H14N2S
• Molecular Mass: 170.27516
• Monoisotopic Mass: 170.08776946
• SMILES: n1c(sc(c1C)C)C(N)(C)C
• Canonical SMILES: Cc1sc(nc1C)C(N)(C)C
• InChI: InChI=1S/C8H14N2S/c1-5-6(2)11-7(10-5)8(3,4)9/h9H2,1-4H3
• InChIKey: HJWRHDJXXOCCBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11587499
• PubChem SID: 164331672
• PubChem CID: 28286209

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1537565
• LogD (pH = 7.4): 0.391697
• Log P: 1.6097345
• Molar Refractivity: 47.9218 cm^3
• Polarizability: 18.669554 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.094

Product Information

• Purity: 95%