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

• ChemBase ID: 258944
• Molecular Formular: C6H10N2S
• Molecular Mass: 142.222
• Monoisotopic Mass: 142.05646933
• SMILES: c1(nccs1)C(N)(C)C
• Canonical SMILES: CC(c1nccs1)(N)C
• InChI: InChI=1S/C6H10N2S/c1-6(2,7)5-8-3-4-9-5/h3-4H,7H2,1-2H3
• InChIKey: XOYGWSITVXYAHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11587497
• PubChem SID: 164314854
• PubChem CID: 28286203

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7631375
• LogD (pH = 7.4): -0.10868605
• Log P: 0.8325036
• Molar Refractivity: 38.274 cm^3
• Polarizability: 15.154304 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.146

Product Information

• Purity: 95%