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

• ChemBase ID: 322627
• Molecular Formular: C15H20N4S
• Molecular Mass: 288.4111
• Monoisotopic Mass: 288.14086766
• SMILES: N1(C(c2nccs2)CCC1)Cc1cnc(N(C)C)cc1
• Canonical SMILES: CN(c1ccc(cn1)CN1CCCC1c1nccs1)C
• InChI: InChI=1S/C15H20N4S/c1-18(2)14-6-5-12(10-17-14)11-19-8-3-4-13(19)15-16-7-9-20-15/h5-7,9-10,13H,3-4,8,11H2,1-2H3
• InChIKey: JYDNAGYJUKRBQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8614286
• LogD (pH = 7.4): 2.315862
• Log P: 2.4736576
• Molar Refractivity: 83.6202 cm^3
• Polarizability: 31.620337 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.93
• LOG S: -1.94
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4