6-phenyl-2H,3H-imidazo[2,1-b][1,3]thiazole

• ChemBase ID: 101944
• Molecular Formular: C11H10N2S
• Molecular Mass: 202.2755
• Monoisotopic Mass: 202.05646933
• SMILES: c12nc(cn1CCS2)c1ccccc1
• Canonical SMILES: C1Sc2n(C1)cc(n2)c1ccccc1
• InChI: InChI=1S/C11H10N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,8H,6-7H2
• InChIKey: ZUSMDKHVRFBRNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-phenyl-2H,3H-imidazo[2,1-b][1,3]thiazole
• IUPAC Traditional name: 6-phenyl-2H,3H-imidazo[2,1-b][1,3]thiazole
• Synonyms: 6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazole

Database IDs

• CAS Number: 4335-28-8
• MDL Number: MFCD00139587
• PubChem SID: 162088730
• PubChem CID: 432820

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.971834
• LogD (pH = 7.4): 2.992514
• Log P: 2.9927843
• Molar Refractivity: 59.1401 cm^3
• Polarizability: 24.078672 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%