5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine

• ChemBase ID: 292801
• Molecular Formular: C7H10N2S
• Molecular Mass: 154.2327
• Monoisotopic Mass: 154.05646933
• SMILES: CN1CCc2c(C1)scn2
• Canonical SMILES: CN1CCc2c(C1)scn2
• InChI: InChI=1S/C7H10N2S/c1-9-3-2-6-7(4-9)10-5-8-6/h5H,2-4H2,1H3
• InChIKey: JSYKQYFGEPJWQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine
• IUPAC Traditional name: 5-methyl-4H,6H,7H-[1,3]thiazolo[5,4-c]pyridine
• Synonyms: 5-Methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine

Database IDs

• CAS Number: 259809-24-0
• PubChem SID: 180678332
• PubChem CID: 11186440

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.3364215
• LogD (pH = 7.4): 0.3467509
• Log P: 0.7755867
• Molar Refractivity: 42.325 cm^3
• Polarizability: 16.186167 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%