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

• ChemBase ID: 307938
• Molecular Formular: C7H9N3S
• Molecular Mass: 167.23146
• Monoisotopic Mass: 167.0517183
• SMILES: c12nc(cn1ccs2)C(N)C
• Canonical SMILES: CC(c1cn2c(n1)scc2)N
• InChI: InChI=1S/C7H9N3S/c1-5(8)6-4-10-2-3-11-7(10)9-6/h2-5H,8H2,1H3
• InChIKey: SQJKYMYHTQVRRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09971206

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2260666
• LogD (pH = 7.4): -0.7153249
• Log P: 0.5692553
• Molar Refractivity: 55.9575 cm^3
• Polarizability: 17.18628 Å^3
• Polar Surface Area: 43.32 Å^2