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

• ChemBase ID: 66839
• Molecular Formular: C7H10N2S
• Molecular Mass: 154.2327
• Monoisotopic Mass: 154.05646933
• SMILES: C1c2c(CCN1)nc(s2)C
• Canonical SMILES: Cc1nc2c(s1)CNCC2
• InChI: InChI=1S/C7H10N2S/c1-5-9-6-2-3-8-4-7(6)10-5/h8H,2-4H2,1H3
• InChIKey: KGBINGMJYXILDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine
• IUPAC Traditional name: 2-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine
• Synonyms: 4,5,6,7-Tetrahydro-2-methylthiazolo[5,4-c]pyridine; 2-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine

Database IDs

• CAS Number: 124458-27-1
• MDL Number: MFCD06738531
• PubChem SID: 162032575
• PubChem CID: 15017645

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2304125
• LogD (pH = 7.4): -0.5342406
• Log P: 0.5156035
• Molar Refractivity: 41.471 cm^3
• Polarizability: 16.10629 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.524

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%