4-[2-(piperidin-4-yl)-1,3-thiazol-4-yl]pyridine dihydrochloride

• ChemBase ID: 272191
• Molecular Formular: C13H17Cl2N3S
• Molecular Mass: 318.26518
• Monoisotopic Mass: 317.05202392
• SMILES: n1c(scc1c1ccncc1)C1CCNCC1.Cl.Cl
• Canonical SMILES: N1CCC(CC1)c1scc(n1)c1ccncc1.Cl.Cl
• InChI: InChI=1S/C13H15N3S.2ClH/c1-5-14-6-2-10(1)12-9-17-13(16-12)11-3-7-15-8-4-11;;/h1-2,5-6,9,11,15H,3-4,7-8H2;2*1H
• InChIKey: LVSRRXAFJGIWNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(piperidin-4-yl)-1,3-thiazol-4-yl]pyridine dihydrochloride
• IUPAC Traditional name: 4-[2-(piperidin-4-yl)-1,3-thiazol-4-yl]pyridine dihydrochloride
• Synonyms: 4-[2-(piperidin-4-yl)-1,3-thiazol-4-yl]pyridine dihydrochloride

Database IDs

• MDL Number: MFCD18483173
• PubChem SID: 164328101
• PubChem CID: 54592657

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5472018
• LogD (pH = 7.4): -0.72087073
• Log P: 1.6740844
• Molar Refractivity: 68.746 cm^3
• Polarizability: 28.087439 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.375

Product Information

• Purity: 95%