2-(5-amino-1,3,4-thiadiazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

• ChemBase ID: 767440
• Molecular Formular: C14H16N4OS
• Molecular Mass: 288.36804
• Monoisotopic Mass: 288.10448215
• SMILES: s1c(nnc1N)CC(=O)NC1Cc2c(CC1)cccc2
• Canonical SMILES: O=C(Cc1nnc(s1)N)NC1CCc2c(C1)cccc2
• InChI: InChI=1S/C14H16N4OS/c15-14-18-17-13(20-14)8-12(19)16-11-6-5-9-3-1-2-4-10(9)7-11/h1-4,11H,5-8H2,(H2,15,18)(H,16,19)
• InChIKey: JJSHVJCSLIBQNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
• IUPAC Traditional name: 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
• Synonyms: 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-(1,2,3,4-tetrahydro-2-naphthalenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.070362
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5929981
• LogD (pH = 7.4): 1.593001
• Log P: 1.5930011
• Molar Refractivity: 80.015 cm^3
• Polarizability: 29.519676 Å^3
• Polar Surface Area: 80.9 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.48
• LOG S: -3.31
• Polar Surface Area: 80.9 Å^2
• Rotatable Bonds: 3