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

• ChemBase ID: 55470
• Molecular Formular: C8H13Cl2N3S
• Molecular Mass: 254.17992
• Monoisotopic Mass: 253.02072379
• SMILES: c1csc2n1cc(n2)C(N)CC.Cl.Cl
• Canonical SMILES: CCC(c1nc2n(c1)ccs2)N.Cl.Cl
• InChI: InChI=1S/C8H11N3S.2ClH/c1-2-6(9)7-5-11-3-4-12-8(11)10-7;;/h3-6H,2,9H2,1H3;2*1H
• InChIKey: IZAHNTMLBZDQBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{imidazo[2,1-b][1,3]thiazol-6-yl}propan-1-amine dihydrochloride
• IUPAC Traditional name: 1-{imidazo[2,1-b][1,3]thiazol-6-yl}propan-1-amine dihydrochloride
• Synonyms: (1-Imidazo[2,1-b][1,3]thiazol-6-ylpropyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD18071253
• PubChem SID: 162060233
• PubChem CID: 56773582

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.906321
• LogD (pH = 7.4): -0.22910768
• Log P: 1.1177
• Molar Refractivity: 60.4815 cm^3
• Polarizability: 19.022387 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false