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

• ChemBase ID: 257075
• Molecular Formular: C6H9N3S
• Molecular Mass: 155.22076
• Monoisotopic Mass: 155.0517183
• SMILES: n1c(sc2c1CCNC2)N
• Canonical SMILES: Nc1nc2c(s1)CNCC2
• InChI: InChI=1S/C6H9N3S/c7-6-9-4-1-2-8-3-5(4)10-6/h8H,1-3H2,(H2,7,9)
• InChIKey: YYZRTZLOUDOIGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 97817-23-7
• MDL Number: MFCD06657759
• PubChem SID: 164312985
• PubChem CID: 13519687

CALCULATED PROPERTIES

• Acid pKa: 16.75429
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.5516891
• LogD (pH = 7.4): -0.8734189
• Log P: 0.24786283
• Molar Refractivity: 41.204 cm^3
• Polarizability: 15.499806 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 176 - 178°C
• Hydrophobicity(logP): -0.318

Product Information

• Purity: 95%