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

• ChemBase ID: 489477
• Molecular Formular: C14H24N4OS
• Molecular Mass: 296.43156
• Monoisotopic Mass: 296.16708241
• SMILES: c1(ncc(s1)CN(C(C(=O)N(C)C)C)C)N1CCCC1
• Canonical SMILES: CC(C(=O)N(C)C)N(Cc1cnc(s1)N1CCCC1)C
• InChI: InChI=1S/C14H24N4OS/c1-11(13(19)16(2)3)17(4)10-12-9-15-14(20-12)18-7-5-6-8-18/h9,11H,5-8,10H2,1-4H3
• InChIKey: ZLKJAIDGYGHWHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.25493467
• LogD (pH = 7.4): 1.4900151
• Log P: 1.5911232
• Molar Refractivity: 83.2302 cm^3
• Polarizability: 31.513128 Å^3
• Polar Surface Area: 39.68 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.65
• LOG S: -2.77
• Polar Surface Area: 39.68 Å^2
• Rotatable Bonds: 5