N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propanamide

• ChemBase ID: 533463
• Molecular Formular: C15H20N6O2S
• Molecular Mass: 348.4233
• Monoisotopic Mass: 348.13684491
• SMILES: s1c(nnc1C1CC1)NC(=O)CCN1C(c2nonc2C)CCC1
• Canonical SMILES: O=C(Nc1nnc(s1)C1CC1)CCN1CCCC1c1nonc1C
• InChI: InChI=1S/C15H20N6O2S/c1-9-13(20-23-19-9)11-3-2-7-21(11)8-6-12(22)16-15-18-17-14(24-15)10-4-5-10/h10-11H,2-8H2,1H3,(H,16,18,22)
• InChIKey: QUCQQPDCJHCSMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propanamide
• IUPAC Traditional name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propanamide
• Synonyms: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.429823
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.5574558
• LogD (pH = 7.4): 0.72848576
• Log P: 0.8455387
• Molar Refractivity: 92.0326 cm^3
• Polarizability: 33.46398 Å^3
• Polar Surface Area: 97.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.65
• LOG S: -3.15
• Polar Surface Area: 97.04 Å^2
• Rotatable Bonds: 6