N'-cyclopentyl-N'-propyl-N-(1,3,4-thiadiazol-2-yl)ethanediamide

• ChemBase ID: 730349
• Molecular Formular: C12H18N4O2S
• Molecular Mass: 282.36192
• Monoisotopic Mass: 282.11504684
• SMILES: C(=O)(C(=O)N(C1CCCC1)CCC)Nc1scnn1
• Canonical SMILES: CCCN(C(=O)C(=O)Nc1scnn1)C1CCCC1
• InChI: InChI=1S/C12H18N4O2S/c1-2-7-16(9-5-3-4-6-9)11(18)10(17)14-12-15-13-8-19-12/h8-9H,2-7H2,1H3,(H,14,15,17)
• InChIKey: GOJYQVGTIHSWBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-cyclopentyl-N'-propyl-N-(1,3,4-thiadiazol-2-yl)ethanediamide
• IUPAC Traditional name: N'-cyclopentyl-N'-propyl-N-(1,3,4-thiadiazol-2-yl)ethanediamide
• Synonyms: N-cyclopentyl-N-propyl-N'-1,3,4-thiadiazol-2-ylethanediamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 1.5
• LOG S: -2.54
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 1

JChem

• Molar Refractivity: 74.8218 cm^3
• Polarizability: 27.450947 Å^3
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 9.623507
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5042568
• LogD (pH = 7.4): 1.5018294
• Log P: 1.5042882