N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide

• ChemBase ID: 759094
• Molecular Formular: C14H12N4OS3
• Molecular Mass: 348.46628
• Monoisotopic Mass: 348.01732402
• SMILES: c1(nc(sc1)c1sccc1)C(=O)NCc1nc2n(c1)CCS2
• Canonical SMILES: O=C(c1csc(n1)c1cccs1)NCc1cn2c(n1)SCC2
• InChI: InChI=1S/C14H12N4OS3/c19-12(10-8-22-13(17-10)11-2-1-4-20-11)15-6-9-7-18-3-5-21-14(18)16-9/h1-2,4,7-8H,3,5-6H2,(H,15,19)
• InChIKey: VZVWUOAOUCDLLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
• Synonyms: N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2-thienyl)-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.527019
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6444945
• LogD (pH = 7.4): 2.6859744
• Log P: 2.6865313
• Molar Refractivity: 99.2693 cm^3
• Polarizability: 34.150642 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.65
• LOG S: -3.15
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 4