N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-methyl-1,3-benzothiazole-5-carboxamide

• ChemBase ID: 731660
• Molecular Formular: C15H14N4OS2
• Molecular Mass: 330.42786
• Monoisotopic Mass: 330.06090309
• SMILES: c12nc(cn1CCS2)CNC(=O)c1cc2nc(sc2cc1)C
• Canonical SMILES: Cc1sc2c(n1)cc(cc2)C(=O)NCc1cn2c(n1)SCC2
• InChI: InChI=1S/C15H14N4OS2/c1-9-17-12-6-10(2-3-13(12)22-9)14(20)16-7-11-8-19-4-5-21-15(19)18-11/h2-3,6,8H,4-5,7H2,1H3,(H,16,20)
• InChIKey: HACWCYNCLPKOQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-methyl-1,3-benzothiazole-5-carboxamide
• IUPAC Traditional name: N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-methyl-1,3-benzothiazole-5-carboxamide
• Synonyms: N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-1,3-benzothiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.436954
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0610445
• LogD (pH = 7.4): 2.1027014
• Log P: 2.1032608
• Molar Refractivity: 87.9528 cm^3
• Polarizability: 34.408264 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.21
• LOG S: -2.64
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 3