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

• ChemBase ID: 55465
• Molecular Formular: C8H13Cl2N3S
• Molecular Mass: 254.17992
• Monoisotopic Mass: 253.02072379
• SMILES: c1csc2n1cc(n2)CC(C)N.Cl.Cl
• Canonical SMILES: CC(Cc1nc2n(c1)ccs2)N.Cl.Cl
• InChI: InChI=1S/C8H11N3S.2ClH/c1-6(9)4-7-5-11-2-3-12-8(11)10-7;;/h2-3,5-6H,4,9H2,1H3;2*1H
• InChIKey: INXBAGBCEXYOME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18071257
• PubChem SID: 162060228
• PubChem CID: 56773578

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6876826
• LogD (pH = 7.4): -1.6261111
• Log P: 0.706
• Molar Refractivity: 60.5818 cm^3
• Polarizability: 18.949787 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