1-(2-methoxyethyl)-3-(1,2,3-thiadiazol-5-yl)-1-(thiophen-2-ylmethyl)urea

• ChemBase ID: 437694
• Molecular Formular: C11H14N4O2S2
• Molecular Mass: 298.38446
• Monoisotopic Mass: 298.05581771
• SMILES: C(=O)(Nc1snnc1)N(Cc1sccc1)CCOC
• Canonical SMILES: COCCN(C(=O)Nc1cnns1)Cc1cccs1
• InChI: InChI=1S/C11H14N4O2S2/c1-17-5-4-15(8-9-3-2-6-18-9)11(16)13-10-7-12-14-19-10/h2-3,6-7H,4-5,8H2,1H3,(H,13,16)
• InChIKey: GAZHGZGBSPIOIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-3-(1,2,3-thiadiazol-5-yl)-1-(thiophen-2-ylmethyl)urea
• IUPAC Traditional name: 1-(2-methoxyethyl)-3-(1,2,3-thiadiazol-5-yl)-1-(thiophen-2-ylmethyl)urea
• Synonyms: N-(2-methoxyethyl)-N'-1,2,3-thiadiazol-5-yl-N-(2-thienylmethyl)urea

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.466851
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6698301
• LogD (pH = 7.4): 1.6663533
• Log P: 1.6698754
• Molar Refractivity: 75.395 cm^3
• Polarizability: 27.896133 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.0
• LOG S: -2.23
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 6