[1,3]thiazolo[4,5-c]pyridin-2-amine

• ChemBase ID: 258904
• Molecular Formular: C6H5N3S
• Molecular Mass: 151.189
• Monoisotopic Mass: 151.02041818
• SMILES: n1c(sc2c1cncc2)N
• Canonical SMILES: Nc1nc2c(s1)ccnc2
• InChI: InChI=1S/C6H5N3S/c7-6-9-4-3-8-2-1-5(4)10-6/h1-3H,(H2,7,9)
• InChIKey: OSHXRTVCVNSLPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,3]thiazolo[4,5-c]pyridin-2-amine
• IUPAC Traditional name: [1,3]thiazolo[4,5-c]pyridin-2-amine
• Synonyms: pyrido[3,4-d][1,3]thiazol-2-amine

Database IDs

• MDL Number: MFCD08234813
• PubChem SID: 164314814
• PubChem CID: 14252938

CALCULATED PROPERTIES

• Acid pKa: 16.681494
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7511103
• LogD (pH = 7.4): 0.75112325
• Log P: 0.75112337
• Molar Refractivity: 39.1455 cm^3
• Polarizability: 15.851079 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 275 - 277°C
• Hydrophobicity(logP): 0.934

Product Information

• Purity: 95%