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

• ChemBase ID: 591446
• Molecular Formular: C21H24N4OS
• Molecular Mass: 380.50646
• Monoisotopic Mass: 380.16708241
• SMILES: c1(nc2n(c1CNC1c3c(CCC1)cccc3)ccs2)C(=O)N1CCCC1
• Canonical SMILES: O=C(c1nc2n(c1CNC1CCCc3c1cccc3)ccs2)N1CCCC1
• InChI: InChI=1S/C21H24N4OS/c26-20(24-10-3-4-11-24)19-18(25-12-13-27-21(25)23-19)14-22-17-9-5-7-15-6-1-2-8-16(15)17/h1-2,6,8,12-13,17,22H,3-5,7,9-11,14H2
• InChIKey: ADIUYRUZVPVWKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[6-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: N-{[6-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: N-{[6-(1-pyrrolidinylcarbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}-1,2,3,4-tetrahydro-1-naphthalenamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5227308
• LogD (pH = 7.4): 2.2551017
• Log P: 3.074507
• Molar Refractivity: 119.4731 cm^3
• Polarizability: 40.96727 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.9
• LOG S: -4.48
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 4