6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine

• ChemBase ID: 244437
• Molecular Formular: C11H8FN3S
• Molecular Mass: 233.2647232
• Monoisotopic Mass: 233.04229649
• SMILES: n12c(nc(c1N)c1ccc(cc1)F)scc2
• Canonical SMILES: Fc1ccc(cc1)c1nc2n(c1N)ccs2
• InChI: InChI=1S/C11H8FN3S/c12-8-3-1-7(2-4-8)9-10(13)15-5-6-16-11(15)14-9/h1-6H,13H2
• InChIKey: RDRJUNSDLSDECI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
• IUPAC Traditional name: 6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
• Synonyms: 6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine

Database IDs

• MDL Number: MFCD06384986
• PubChem SID: 164300347
• PubChem CID: 4961778

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1446922
• LogD (pH = 7.4): 2.2254639
• Log P: 2.2266
• Molar Refractivity: 72.4467 cm^3
• Polarizability: 23.705717 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 137 - 139°C
• Hydrophobicity(logP): 2.912

Product Information

• Purity: 95%