N-(2,6-dibromo-4-methoxyphenyl)-4-{2-methylimidazo[1,2-a]pyrimidin-3-yl}-1,3-thiazol-2-amine

• ChemBase ID: 313183
• Molecular Formular: C17H13Br2N5OS
• Molecular Mass: 495.19102
• Monoisotopic Mass: 492.92075506
• SMILES: c1(cc(c(c(c1)Br)Nc1nc(cs1)c1n2c(nc1C)nccc2)Br)OC
• Canonical SMILES: COc1cc(Br)c(c(c1)Br)Nc1scc(n1)c1c(C)nc2n1cccn2
• InChI: InChI=1S/C17H13Br2N5OS/c1-9-15(24-5-3-4-20-16(24)21-9)13-8-26-17(22-13)23-14-11(18)6-10(25-2)7-12(14)19/h3-8H,1-2H3,(H,22,23)
• InChIKey: XVOOCQSWCCRVDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,6-dibromo-4-methoxyphenyl)-4-{2-methylimidazo[1,2-a]pyrimidin-3-yl}-1,3-thiazol-2-amine
• IUPAC Traditional name: N-(2,6-dibromo-4-methoxyphenyl)-4-{2-methylimidazo[1,2-a]pyrimidin-3-yl}-1,3-thiazol-2-amine
• Synonyms: PTC-209

Database IDs

• CAS Number: 315704-66-6

CALCULATED PROPERTIES

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 11.26141
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 4.0541077
• LogD (pH = 7.4): 4.0544806
• Log P: 4.0545444
• Molar Refractivity: 108.8995 cm^3
• Polarizability: 41.833153 Å^3
• Polar Surface Area: 64.34 Å^2

PROPERTIES

Pharmacology Properties

• Target: Others

Product Information

• Salt Data: Free Base