2-methoxy-[1,3]thiazolo[5,4-b]pyridine

• ChemBase ID: 292291
• Molecular Formular: C7H6N2OS
• Molecular Mass: 166.20034
• Monoisotopic Mass: 166.02008382
• SMILES: COc1nc2c(s1)nccc2
• Canonical SMILES: COc1nc2c(s1)nccc2
• InChI: InChI=1S/C7H6N2OS/c1-10-7-9-5-3-2-4-8-6(5)11-7/h2-4H,1H3
• InChIKey: IUKJZYMIFYSPAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-[1,3]thiazolo[5,4-b]pyridine
• IUPAC Traditional name: 2-methoxy-[1,3]thiazolo[5,4-b]pyridine
• Synonyms: 2-Methoxythiazolo[5,4-b]pyridine

Database IDs

• CAS Number: 67219-27-6
• PubChem SID: 180677822
• PubChem CID: 12295802

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7898396
• LogD (pH = 7.4): 1.7898401
• Log P: 1.7898401
• Molar Refractivity: 40.8609 cm^3
• Polarizability: 16.611153 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%