N-(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 759678
• Molecular Formular: C18H19N5O2S
• Molecular Mass: 369.44076
• Monoisotopic Mass: 369.12594587
• SMILES: c12nc(cn1ccs2)C(NC(=O)c1cc(N2C(=O)NCC2)c(cc1)C)C
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)NC(c1cn2c(n1)scc2)C
• InChI: InChI=1S/C18H19N5O2S/c1-11-3-4-13(9-15(11)23-6-5-19-17(23)25)16(24)20-12(2)14-10-22-7-8-26-18(22)21-14/h3-4,7-10,12H,5-6H2,1-2H3,(H,19,25)(H,20,24)
• InChIKey: ZKMRRSZZKDIQPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-(1-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.726705
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5674987
• LogD (pH = 7.4): 1.5759706
• Log P: 1.5760797
• Molar Refractivity: 110.6963 cm^3
• Polarizability: 37.02508 Å^3
• Polar Surface Area: 78.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.35
• LOG S: -3.04
• Polar Surface Area: 78.74 Å^2
• Rotatable Bonds: 4