N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

• ChemBase ID: 439730
• Molecular Formular: C18H22N2OS
• Molecular Mass: 314.44508
• Monoisotopic Mass: 314.14528433
• SMILES: N(C1c2c(CCC1)cccc2)(C(=O)CCc1c(ncs1)C)C
• Canonical SMILES: O=C(N(C1CCCc2c1cccc2)C)CCc1scnc1C
• InChI: InChI=1S/C18H22N2OS/c1-13-17(22-12-19-13)10-11-18(21)20(2)16-9-5-7-14-6-3-4-8-15(14)16/h3-4,6,8,12,16H,5,7,9-11H2,1-2H3
• InChIKey: YOUBDRIBPVFFIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
• IUPAC Traditional name: N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
• Synonyms: N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,2,3,4-tetrahydro-1-naphthalenyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3315072
• LogD (pH = 7.4): 3.3318365
• Log P: 3.3318408
• Molar Refractivity: 90.1146 cm^3
• Polarizability: 34.581844 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.95
• LOG S: -4.01
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 4