[1,3]thiazolo[4,5-h]isoquinolin-2-amine

• ChemBase ID: 289590
• Molecular Formular: C10H7N3S
• Molecular Mass: 201.24768
• Monoisotopic Mass: 201.03606824
• SMILES: Nc1sc2c(n1)ccc1c2cncc1
• Canonical SMILES: Nc1sc2c(n1)ccc1c2cncc1
• InChI: InChI=1S/C10H7N3S/c11-10-13-8-2-1-6-3-4-12-5-7(6)9(8)14-10/h1-5H,(H2,11,13)
• InChIKey: UCFPYNYOEBBXAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,3]thiazolo[4,5-h]isoquinolin-2-amine
• IUPAC Traditional name: [1,3]thiazolo[4,5-h]isoquinolin-2-amine
• Synonyms: Thiazolo[4,5-h]isoquinolin-2-amine

Database IDs

• CAS Number: 35317-80-7
• PubChem SID: 180675121
• PubChem CID: 14660297

CALCULATED PROPERTIES

• Acid pKa: 16.311203
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6326863
• LogD (pH = 7.4): 1.739083
• Log P: 1.7406001
• Molar Refractivity: 55.5957 cm^3
• Polarizability: 23.400135 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%