N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(1-methylpiperidin-2-yl)propanamide

• ChemBase ID: 748226
• Molecular Formular: C14H24N4OS
• Molecular Mass: 296.43156
• Monoisotopic Mass: 296.16708241
• SMILES: n1nc(sc1CNC(=O)CCC1N(C)CCCC1)CC
• Canonical SMILES: CCc1nnc(s1)CNC(=O)CCC1CCCCN1C
• InChI: InChI=1S/C14H24N4OS/c1-3-13-16-17-14(20-13)10-15-12(19)8-7-11-6-4-5-9-18(11)2/h11H,3-10H2,1-2H3,(H,15,19)
• InChIKey: ZALBTLGGCYVOCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
• IUPAC Traditional name: N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
• Synonyms: N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-(1-methyl-2-piperidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.438988
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.4707234
• LogD (pH = 7.4): -1.1935576
• Log P: 0.9169796
• Molar Refractivity: 82.3966 cm^3
• Polarizability: 31.286715 Å^3
• Polar Surface Area: 58.12 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: 0.79
• LOG S: -2.04
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 6