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

• ChemBase ID: 248437
• Molecular Formular: C10H7BrN4S
• Molecular Mass: 295.15838
• Monoisotopic Mass: 293.95747924
• SMILES: n12c(c(nc1scn2)c1cc(Br)ccc1)N
• Canonical SMILES: Brc1cccc(c1)c1nc2n(c1N)ncs2
• InChI: InChI=1S/C10H7BrN4S/c11-7-3-1-2-6(4-7)8-9(12)15-10(14-8)16-5-13-15/h1-5H,12H2
• InChIKey: WXHGPIYTLHOKNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164304347
• PubChem CID: 71758493

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.717526
• LogD (pH = 7.4): 2.7226346
• Log P: 2.7227
• Molar Refractivity: 87.9498 cm^3
• Polarizability: 25.978 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.9

Product Information

• Purity: null%