[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

• ChemBase ID: 118054
• Molecular Formular: C13H13N3OS
• Molecular Mass: 259.32682
• Monoisotopic Mass: 259.07793305
• SMILES: c12nc(c(n1ccs2)CN)c1ccc(cc1)OC
• Canonical SMILES: NCc1c(nc2n1ccs2)c1ccc(cc1)OC
• InChI: InChI=1S/C13H13N3OS/c1-17-10-4-2-9(3-5-10)12-11(8-14)16-6-7-18-13(16)15-12/h2-7H,8,14H2,1H3
• InChIKey: XSLXUYDZXQPGHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
• IUPAC Traditional name: [6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
• Synonyms: {[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}amine

Database IDs

• MDL Number: MFCD11602418
• PubChem SID: 162098656
• PubChem CID: 28325921

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6114709
• LogD (pH = 7.4): -0.03952542
• Log P: 1.5563
• Molar Refractivity: 83.0907 cm^3
• Polarizability: 28.801538 Å^3
• Polar Surface Area: 52.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.316

Product Information

• Purity: 95+%