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

• ChemBase ID: 525425
• Molecular Formular: C19H24N6OS
• Molecular Mass: 384.49846
• Monoisotopic Mass: 384.17323042
• SMILES: c1(c(n2c(n1)scc2)CN(C(c1ncncc1)C)C)C(=O)N1CCCCC1
• Canonical SMILES: CN(C(c1ccncn1)C)Cc1c(nc2n1ccs2)C(=O)N1CCCCC1
• InChI: InChI=1S/C19H24N6OS/c1-14(15-6-7-20-13-21-15)23(2)12-16-17(22-19-25(16)10-11-27-19)18(26)24-8-4-3-5-9-24/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3
• InChIKey: OTDIFMZZMKASKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[6-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl})[1-(pyrimidin-4-yl)ethyl]amine
• IUPAC Traditional name: methyl({[6-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl})[1-(pyrimidin-4-yl)ethyl]amine
• Synonyms: N-methyl-N-{[6-(1-piperidinylcarbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}-1-(4-pyrimidinyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1641083
• LogD (pH = 7.4): 1.6292936
• Log P: 1.6400564
• Molar Refractivity: 117.823 cm^3
• Polarizability: 40.00925 Å^3
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.42
• LOG S: -1.95
• Polar Surface Area: 66.63 Å^2
• Rotatable Bonds: 5