2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide

• ChemBase ID: 865499
• Molecular Formular: C8H6N2OS2
• Molecular Mass: 210.27604
• Monoisotopic Mass: 209.99215482
• SMILES: c1(nc(sc1)c1sccc1)C(=O)N
• Canonical SMILES: NC(=O)c1csc(n1)c1cccs1
• InChI: InChI=1S/C8H6N2OS2/c9-7(11)5-4-13-8(10-5)6-2-1-3-12-6/h1-4H,(H2,9,11)
• InChIKey: SRPAVFMIHCWDQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: 2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
• Synonyms: 2-(2-thienyl)-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.247961
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6704475
• LogD (pH = 7.4): 1.6704476
• Log P: 1.6704475
• Molar Refractivity: 61.9643 cm^3
• Polarizability: 19.962652 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.98
• LOG S: -2.58
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 2