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

• ChemBase ID: 118719
• Molecular Formular: C7H11N3S
• Molecular Mass: 169.24734
• Monoisotopic Mass: 169.06736837
• SMILES: c12c(nc(s1)N)CCN(C2)C
• Canonical SMILES: CN1CCc2c(C1)sc(n2)N
• InChI: InChI=1S/C7H11N3S/c1-10-3-2-5-6(4-10)11-7(8)9-5/h2-4H2,1H3,(H2,8,9)
• InChIKey: SAFPFEWXCCYGOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
• IUPAC Traditional name: 5-methyl-4H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
• Synonyms: 5-Methyl-4,5,6,7-tetrahydro-thiazolo[5,4-c]pyridin-2-ylamine; 5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-amine; 5-Methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-amine

Database IDs

• CAS Number: 17899-48-8
• MDL Number: MFCD02854749
• PubChem SID: 162099221
• PubChem CID: 2397998

CALCULATED PROPERTIES

• Acid pKa: 16.753038
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7581843
• LogD (pH = 7.4): -0.0049670464
• Log P: 0.63091075
• Molar Refractivity: 46.4987 cm^3
• Polarizability: 17.331606 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168 - 170°C
• Partition Coefficient: 0.45
• Hydrophobicity(logP): 0.128

Product Information

• Purity: 95%; 95+%