1-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazine dihydrochloride

• ChemBase ID: 268670
• Molecular Formular: C10H14Cl2N4S
• Molecular Mass: 293.21596
• Monoisotopic Mass: 292.03162283
• SMILES: c1(sc2c(n1)cccn2)N1CCNCC1.Cl.Cl
• Canonical SMILES: N1CCN(CC1)c1nc2c(s1)nccc2.Cl.Cl
• InChI: InChI=1S/C10H12N4S.2ClH/c1-2-8-9(12-3-1)15-10(13-8)14-6-4-11-5-7-14;;/h1-3,11H,4-7H2;2*1H
• InChIKey: OSRDCOARRFBNRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazine dihydrochloride
• IUPAC Traditional name: 1-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazine dihydrochloride
• Synonyms: 1-{[1,3]thiazolo[5,4-b]pyridin-2-yl}piperazine dihydrochloride

Database IDs

• MDL Number: MFCD16817421
• PubChem SID: 164324580
• PubChem CID: 50988273

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3844429
• LogD (pH = 7.4): 0.23102126
• Log P: 1.5196269
• Molar Refractivity: 59.5817 cm^3
• Polarizability: 23.35581 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.15

Product Information

• Purity: 95%