5-({[(1-cyclopentylpiperidin-3-yl)methyl][2-(piperidin-1-yl)ethyl]amino}methyl)-N,N-dimethyl-1,3-thiazol-2-amine

• ChemBase ID: 480167
• Molecular Formular: C24H43N5S
• Molecular Mass: 433.69672
• Monoisotopic Mass: 433.3239174
• SMILES: c1(ncc(s1)CN(CC1CN(C2CCCC2)CCC1)CCN1CCCCC1)N(C)C
• Canonical SMILES: CN(c1ncc(s1)CN(CC1CCCN(C1)C1CCCC1)CCN1CCCCC1)C
• InChI: InChI=1S/C24H43N5S/c1-26(2)24-25-17-23(30-24)20-28(16-15-27-12-6-3-7-13-27)18-21-9-8-14-29(19-21)22-10-4-5-11-22/h17,21-22H,3-16,18-20H2,1-2H3
• InChIKey: PCYRRVOHANYCBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-({[(1-cyclopentylpiperidin-3-yl)methyl][2-(piperidin-1-yl)ethyl]amino}methyl)-N,N-dimethyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 5-({[(1-cyclopentylpiperidin-3-yl)methyl][2-(piperidin-1-yl)ethyl]amino}methyl)-N,N-dimethyl-1,3-thiazol-2-amine
• Synonyms: 5-({[(1-cyclopentyl-3-piperidinyl)methyl][2-(1-piperidinyl)ethyl]amino}methyl)-N,N-dimethyl-1,3-thiazol-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.268603
• LogD (pH = 7.4): 0.05296294
• Log P: 4.250845
• Molar Refractivity: 130.2397 cm^3
• Polarizability: 50.305317 Å^3
• Polar Surface Area: 25.85 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.61
• LOG S: -2.61
• Polar Surface Area: 25.85 Å^2
• Rotatable Bonds: 8