N-cyclopropyl-1-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetyl)piperazine-2-carboxamide

• ChemBase ID: 421287
• Molecular Formular: C15H19N5O2S
• Molecular Mass: 333.40866
• Monoisotopic Mass: 333.12594587
• SMILES: c12nc(CC(=O)N3C(C(=O)NC4CC4)CNCC3)cn1ccs2
• Canonical SMILES: O=C(C1CNCCN1C(=O)Cc1cn2c(n1)scc2)NC1CC1
• InChI: InChI=1S/C15H19N5O2S/c21-13(7-11-9-19-5-6-23-15(19)18-11)20-4-3-16-8-12(20)14(22)17-10-1-2-10/h5-6,9-10,12,16H,1-4,7-8H2,(H,17,22)
• InChIKey: UJKBXOFLZPLDOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetyl)piperazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}acetyl)piperazine-2-carboxamide
• Synonyms: N-cyclopropyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-2-piperazinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.805264
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.09276
• LogD (pH = 7.4): -0.6732753
• Log P: -0.5064319
• Molar Refractivity: 96.579 cm^3
• Polarizability: 32.951626 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: 4
• H Donor: 2
• Log P: 0.73
• LOG S: -2.25
• Polar Surface Area: 78.74 Å^2
• Rotatable Bonds: 4