N-cyclopropyl-N-({3-[2-(thiophen-3-yl)ethoxy]phenyl}methyl)-1,2,5-thiadiazole-3-carboxamide

• ChemBase ID: 668061
• Molecular Formular: C19H19N3O2S2
• Molecular Mass: 385.50306
• Monoisotopic Mass: 385.09186886
• SMILES: C(=O)(N(C1CC1)Cc1cc(OCCc2cscc2)ccc1)c1nsnc1
• Canonical SMILES: O=C(N(C1CC1)Cc1cccc(c1)OCCc1ccsc1)c1cnsn1
• InChI: InChI=1S/C19H19N3O2S2/c23-19(18-11-20-26-21-18)22(16-4-5-16)12-15-2-1-3-17(10-15)24-8-6-14-7-9-25-13-14/h1-3,7,9-11,13,16H,4-6,8,12H2
• InChIKey: DUQOKIPWEITMGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-({3-[2-(thiophen-3-yl)ethoxy]phenyl}methyl)-1,2,5-thiadiazole-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-N-({3-[2-(thiophen-3-yl)ethoxy]phenyl}methyl)-1,2,5-thiadiazole-3-carboxamide
• Synonyms: N-cyclopropyl-N-{3-[2-(3-thienyl)ethoxy]benzyl}-1,2,5-thiadiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.8654828
• LogD (pH = 7.4): 3.8654828
• Log P: 3.8654828
• Molar Refractivity: 104.0944 cm^3
• Polarizability: 38.91161 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.92
• LOG S: -5.76
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 8