2-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-yl}ethan-1-amine

• ChemBase ID: 242111
• Molecular Formular: C7H11N3S
• Molecular Mass: 169.24734
• Monoisotopic Mass: 169.06736837
• SMILES: c12nc(cn1CCS2)CCN
• Canonical SMILES: NCCc1cn2c(n1)SCC2
• InChI: InChI=1S/C7H11N3S/c8-2-1-6-5-10-3-4-11-7(10)9-6/h5H,1-4,8H2
• InChIKey: HEUAPDKVMDTFEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-yl}ethan-1-amine
• IUPAC Traditional name: 2-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-yl}ethanamine
• Synonyms: 2-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-yl}ethan-1-amine

Database IDs

• MDL Number: MFCD07636855
• PubChem SID: 164298021
• PubChem CID: 7061889

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6314306
• LogD (pH = 7.4): -1.7069533
• Log P: 0.4039617
• Molar Refractivity: 47.0265 cm^3
• Polarizability: 18.213676 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.321

Product Information

• Purity: 95%