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

• ChemBase ID: 248448
• Molecular Formular: C11H8BrN3S
• Molecular Mass: 294.17032
• Monoisotopic Mass: 292.96223027
• SMILES: n12c(nc(c1N)c1ccc(cc1)Br)scc2
• Canonical SMILES: Brc1ccc(cc1)c1nc2n(c1N)ccs2
• InChI: InChI=1S/C11H8BrN3S/c12-8-3-1-7(2-4-8)9-10(13)15-5-6-16-11(15)14-9/h1-6H,13H2
• InChIKey: XUJMDJZPQHVRIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164304358
• PubChem CID: 46909947

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7973814
• LogD (pH = 7.4): 2.8777697
• Log P: 2.8789
• Molar Refractivity: 79.8531 cm^3
• Polarizability: 26.790825 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.832

Product Information

• Purity: null%