{[6-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}[4-(1H-pyrazol-1-yl)butan-2-yl]amine

• ChemBase ID: 830115
• Molecular Formular: C19H26N6OS
• Molecular Mass: 386.51434
• Monoisotopic Mass: 386.18888048
• SMILES: c1(nc2n(c1CNC(CCn1nccc1)C)ccs2)C(=O)N1CCCCC1
• Canonical SMILES: CC(CCn1cccn1)NCc1c(nc2n1ccs2)C(=O)N1CCCCC1
• InChI: InChI=1S/C19H26N6OS/c1-15(6-11-24-10-5-7-21-24)20-14-16-17(22-19-25(16)12-13-27-19)18(26)23-8-3-2-4-9-23/h5,7,10,12-13,15,20H,2-4,6,8-9,11,14H2,1H3
• InChIKey: XFXZWTPLKFOGPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[6-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}[4-(1H-pyrazol-1-yl)butan-2-yl]amine
• IUPAC Traditional name: {[6-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}[4-(pyrazol-1-yl)butan-2-yl]amine
• Synonyms: N-{[6-(1-piperidinylcarbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}-4-(1H-pyrazol-1-yl)-2-butanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3713316
• LogD (pH = 7.4): 0.25892344
• Log P: 1.5119252
• Molar Refractivity: 129.5563 cm^3
• Polarizability: 40.37239 Å^3
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.24
• LOG S: -3.95
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 7