N-(2-fluorophenyl)-5-{[2-(pyridin-2-yl)pyrrolidin-1-yl]methyl}-1,3-thiazol-2-amine

• ChemBase ID: 394874
• Molecular Formular: C19H19FN4S
• Molecular Mass: 354.4443632
• Monoisotopic Mass: 354.13144585
• SMILES: c1(ncc(s1)CN1C(c2ncccc2)CCC1)Nc1c(F)cccc1
• Canonical SMILES: Fc1ccccc1Nc1ncc(s1)CN1CCCC1c1ccccn1
• InChI: InChI=1S/C19H19FN4S/c20-15-6-1-2-7-16(15)23-19-22-12-14(25-19)13-24-11-5-9-18(24)17-8-3-4-10-21-17/h1-4,6-8,10,12,18H,5,9,11,13H2,(H,22,23)
• InChIKey: MQRZFLTZAFJYSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluorophenyl)-5-{[2-(pyridin-2-yl)pyrrolidin-1-yl]methyl}-1,3-thiazol-2-amine
• IUPAC Traditional name: N-(2-fluorophenyl)-5-{[2-(pyridin-2-yl)pyrrolidin-1-yl]methyl}-1,3-thiazol-2-amine
• Synonyms: N-(2-fluorophenyl)-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.822083
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6238978
• LogD (pH = 7.4): 4.018911
• Log P: 4.1787786
• Molar Refractivity: 96.9889 cm^3
• Polarizability: 37.185394 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.94
• LOG S: -2.84
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 5