5-{[4-(cyclopropylmethyl)piperazin-1-yl]methyl}-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 865916
• Molecular Formular: C24H31N5OS
• Molecular Mass: 437.60084
• Monoisotopic Mass: 437.22493164
• SMILES: c1(c(n2c(n1)scc2)CN1CCN(CC2CC2)CC1)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CN(C(=O)c1nc2n(c1CN1CCN(CC1)CC1CC1)ccs2)CCc1ccccc1
• InChI: InChI=1S/C24H31N5OS/c1-26(10-9-19-5-3-2-4-6-19)23(30)22-21(29-15-16-31-24(29)25-22)18-28-13-11-27(12-14-28)17-20-7-8-20/h2-6,15-16,20H,7-14,17-18H2,1H3
• InChIKey: GGGWNHMIXLPIRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[4-(cyclopropylmethyl)piperazin-1-yl]methyl}-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: 5-{[4-(cyclopropylmethyl)piperazin-1-yl]methyl}-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: 5-{[4-(cyclopropylmethyl)-1-piperazinyl]methyl}-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.09945505
• LogD (pH = 7.4): 1.8497972
• Log P: 2.9793227
• Molar Refractivity: 137.7921 cm^3
• Polarizability: 48.096703 Å^3
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.03
• LOG S: -2.22
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 8