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

• ChemBase ID: 294428
• Molecular Formular: C6H9ClN2S
• Molecular Mass: 176.66706
• Monoisotopic Mass: 176.01749698
• SMILES: Cl.C1Cc2c(CN1)scn2
• Canonical SMILES: C1NCc2c(C1)ncs2.Cl
• InChI: InChI=1S/C6H8N2S.ClH/c1-2-7-3-6-5(1)8-4-9-6;/h4,7H,1-3H2;1H
• InChIKey: KHTQBEIQKYEJEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1241725-84-7
• PubChem SID: 180679959
• PubChem CID: 56846169

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2492735
• LogD (pH = 7.4): -0.52744657
• Log P: 0.3925388
• Molar Refractivity: 37.0303 cm^3
• Polarizability: 14.350747 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%