6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

• ChemBase ID: 40547
• Molecular Formular: C12H7FN2OS
• Molecular Mass: 246.2601832
• Monoisotopic Mass: 246.02631207
• SMILES: c1(nc2n(c1C=O)ccs2)c1c(F)cccc1
• Canonical SMILES: O=Cc1c(nc2n1ccs2)c1ccccc1F
• InChI: InChI=1S/C12H7FN2OS/c13-9-4-2-1-3-8(9)11-10(7-16)15-5-6-17-12(15)14-11/h1-7H
• InChIKey: RZZWUVQMYIDSNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
• IUPAC Traditional name: 6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
• Synonyms: 6-(2-Fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carboxaldehyde; 6-(2-Fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

Database IDs

• MDL Number: MFCD02091516
• PubChem SID: 162045310
• PubChem CID: 2783000

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5066655
• LogD (pH = 7.4): 2.5067983
• Log P: 2.5068
• Molar Refractivity: 74.9545 cm^3
• Polarizability: 24.502565 Å^3
• Polar Surface Area: 34.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 147 - 148 °C; 147-148°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%