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

• ChemBase ID: 355410
• Molecular Formular: C14H24N4S
• Molecular Mass: 280.43216
• Monoisotopic Mass: 280.17216779
• SMILES: c1(ncc(s1)CN1CC(CC1)N(C)C)N1CCCC1
• Canonical SMILES: CN(C1CCN(C1)Cc1cnc(s1)N1CCCC1)C
• InChI: InChI=1S/C14H24N4S/c1-16(2)12-5-8-17(10-12)11-13-9-15-14(19-13)18-6-3-4-7-18/h9,12H,3-8,10-11H2,1-2H3
• InChIKey: RQLCTSANFNPGLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.5759512
• LogD (pH = 7.4): -0.21475683
• Log P: 1.8708125
• Molar Refractivity: 81.6218 cm^3
• Polarizability: 31.084724 Å^3
• Polar Surface Area: 22.61 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: -0.02
• LOG S: -0.22
• Polar Surface Area: 22.61 Å^2
• Rotatable Bonds: 4