N-(5-methyl-1,3-thiazol-2-yl)-6-(pyrrolidin-2-yl)pyridin-2-amine hydrochloride

• ChemBase ID: 62308
• Molecular Formular: C13H17ClN4S
• Molecular Mass: 296.81888
• Monoisotopic Mass: 296.08624524
• SMILES: c1(ncc(s1)C)Nc1nc(C2NCCC2)ccc1.Cl
• Canonical SMILES: Cc1cnc(s1)Nc1cccc(n1)C1CCCN1.Cl
• InChI: InChI=1S/C13H16N4S.ClH/c1-9-8-15-13(18-9)17-12-6-2-4-11(16-12)10-5-3-7-14-10;/h2,4,6,8,10,14H,3,5,7H2,1H3,(H,15,16,17);1H
• InChIKey: KAGISSHKXZJRRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-methyl-1,3-thiazol-2-yl)-6-(pyrrolidin-2-yl)pyridin-2-amine hydrochloride
• IUPAC Traditional name: N-(5-methyl-1,3-thiazol-2-yl)-6-(pyrrolidin-2-yl)pyridin-2-amine hydrochloride
• Synonyms: (5-Methyl-thiazol-2-yl)-(6-pyrrolidin-2-yl-pyridin-2-yl)-amine hydrochloride

Database IDs

• MDL Number: MFCD21605900
• PubChem SID: 162028047
• PubChem CID: 71298649

CALCULATED PROPERTIES

• Acid pKa: 10.660501
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.13524322
• LogD (pH = 7.4): 1.0160906
• Log P: 2.842282
• Molar Refractivity: 72.4509 cm^3
• Polarizability: 27.853357 Å^3
• Polar Surface Area: 49.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false