N-(1,3-benzothiazol-2-ylmethyl)-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 693429
• Molecular Formular: C15H12N4OS2
• Molecular Mass: 328.41198
• Monoisotopic Mass: 328.04525302
• SMILES: c1(nc2n(c1)ccs2)C(=O)N(Cc1nc2c(s1)cccc2)C
• Canonical SMILES: CN(C(=O)c1cn2c(n1)scc2)Cc1nc2c(s1)cccc2
• InChI: InChI=1S/C15H12N4OS2/c1-18(9-13-16-10-4-2-3-5-12(10)22-13)14(20)11-8-19-6-7-21-15(19)17-11/h2-8H,9H2,1H3
• InChIKey: KHUCRVOJJGWRTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4148767
• LogD (pH = 7.4): 2.414958
• Log P: 2.414959
• Molar Refractivity: 97.0225 cm^3
• Polarizability: 33.40217 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.24
• LOG S: -5.47
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 3