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

• ChemBase ID: 310440
• Molecular Formular: C7H9N3S
• Molecular Mass: 167.23146
• Monoisotopic Mass: 167.0517183
• SMILES: c12n(cc(n1)CCN)ccs2
• Canonical SMILES: NCCc1cn2c(n1)scc2
• InChI: InChI=1S/C7H9N3S/c8-2-1-6-5-10-3-4-11-7(10)9-6/h3-5H,1-2,8H2
• InChIKey: LXVWZBGJWWXEDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 933698-24-9
• MDL Number: MFCD09889390

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7641642
• LogD (pH = 7.4): -1.8488747
• Log P: 0.23750381
• Molar Refractivity: 56.163 cm^3
• Polarizability: 17.1143 Å^3
• Polar Surface Area: 43.32 Å^2