N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 402033
• Molecular Formular: C13H14N4O2S2
• Molecular Mass: 322.40586
• Monoisotopic Mass: 322.05581771
• SMILES: c1(nc2n(c1)ccs2)C(=O)N(Cc1nccs1)CCOC
• Canonical SMILES: COCCN(C(=O)c1cn2c(n1)scc2)Cc1nccs1
• InChI: InChI=1S/C13H14N4O2S2/c1-19-5-3-16(9-11-14-2-6-20-11)12(18)10-8-17-4-7-21-13(17)15-10/h2,4,6-8H,3,5,9H2,1H3
• InChIKey: GUORVVQNAJPBSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8863253
• LogD (pH = 7.4): 0.8865475
• Log P: 0.8865503
• Molar Refractivity: 92.2037 cm^3
• Polarizability: 30.38021 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.25
• LOG S: -3.47
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 6