1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)-3-(pyrrolidin-1-yl)piperidine

• ChemBase ID: 701397
• Molecular Formular: C16H24N4S
• Molecular Mass: 304.45356
• Monoisotopic Mass: 304.17216779
• SMILES: c12n(c(c(n1)C)CN1CC(N3CCCC3)CCC1)ccs2
• Canonical SMILES: Cc1nc2n(c1CN1CCCC(C1)N1CCCC1)ccs2
• InChI: InChI=1S/C16H24N4S/c1-13-15(20-9-10-21-16(20)17-13)12-18-6-4-5-14(11-18)19-7-2-3-8-19/h9-10,14H,2-8,11-12H2,1H3
• InChIKey: ZEOIAHGOECGNTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)-3-(pyrrolidin-1-yl)piperidine
• IUPAC Traditional name: 1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)-3-(pyrrolidin-1-yl)piperidine
• Synonyms: 6-methyl-5-{[3-(1-pyrrolidinyl)-1-piperidinyl]methyl}imidazo[2,1-b][1,3]thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.8559221
• LogD (pH = 7.4): -0.7267706
• Log P: 1.6760253
• Molar Refractivity: 99.2954 cm^3
• Polarizability: 33.74119 Å^3
• Polar Surface Area: 23.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.48
• LOG S: -1.71
• Polar Surface Area: 23.78 Å^2
• Rotatable Bonds: 3