N-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-{[6-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}cyclopropanamine

• ChemBase ID: 666747
• Molecular Formular: C19H24N6OS
• Molecular Mass: 384.49846
• Monoisotopic Mass: 384.17323042
• SMILES: c1(c(n2c(n1)scc2)CN(C1CC1)Cc1cn(nc1)C)C(=O)N1CCCC1
• Canonical SMILES: Cn1ncc(c1)CN(C1CC1)Cc1c(nc2n1ccs2)C(=O)N1CCCC1
• InChI: InChI=1S/C19H24N6OS/c1-22-11-14(10-20-22)12-24(15-4-5-15)13-16-17(18(26)23-6-2-3-7-23)21-19-25(16)8-9-27-19/h8-11,15H,2-7,12-13H2,1H3
• InChIKey: ICXMVFBLUJKVDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-{[6-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}cyclopropanamine
• IUPAC Traditional name: N-[(1-methylpyrazol-4-yl)methyl]-N-{[6-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}cyclopropanamine
• Synonyms: N-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-{[6-(pyrrolidin-1-ylcarbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}cyclopropanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.22575983
• LogD (pH = 7.4): 1.2975805
• Log P: 1.3621866
• Molar Refractivity: 128.7006 cm^3
• Polarizability: 39.64905 Å^3
• Polar Surface Area: 58.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.29
• LOG S: -3.1
• Polar Surface Area: 58.67 Å^2
• Rotatable Bonds: 6