6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine

• ChemBase ID: 248429
• Molecular Formular: C10H8N4S
• Molecular Mass: 216.26232
• Monoisotopic Mass: 216.04696728
• SMILES: n12c(c(nc1scn2)c1ccccc1)N
• Canonical SMILES: Nc1c(nc2n1ncs2)c1ccccc1
• InChI: InChI=1S/C10H8N4S/c11-9-8(7-4-2-1-3-5-7)13-10-14(9)12-6-15-10/h1-6H,11H2
• InChIKey: YLQHCHITTCXXIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
• IUPAC Traditional name: 6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
• Synonyms: 6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine

Database IDs

• PubChem SID: 164304339
• PubChem CID: 71758485

CALCULATED PROPERTIES

• Log P: 1.9309
• Molar Refractivity: 80.327 cm^3
• Polarizability: 23.1748 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9256915
• LogD (pH = 7.4): 1.930834

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.036

Product Information

• Purity: null%