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

• ChemBase ID: 24525
• Molecular Formular: C6H11Br2N3S
• Molecular Mass: 317.04464
• Monoisotopic Mass: 314.90404237
• SMILES: n1c(sc2c1CCNC2)N.Br.Br
• Canonical SMILES: Nc1nc2c(s1)CNCC2.Br.Br
• InChI: InChI=1S/C6H9N3S.2BrH/c7-6-9-4-1-2-8-3-5(4)10-6;;/h8H,1-3H2,(H2,7,9);2*1H
• InChIKey: WSYOBFPJSWHLHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11506406
• PubChem SID: 160987832
• PubChem CID: 46736051

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false