N-methyl-4-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]-1,3-thiazol-2-amine

• ChemBase ID: 768771
• Molecular Formular: C19H24N4OS
• Molecular Mass: 356.48506
• Monoisotopic Mass: 356.16708241
• SMILES: c1(nc(sc1)NC)C(=O)N1CCN(C2Cc3c(CC2)cccc3)CC1
• Canonical SMILES: CNc1scc(n1)C(=O)N1CCN(CC1)C1CCc2c(C1)cccc2
• InChI: InChI=1S/C19H24N4OS/c1-20-19-21-17(13-25-19)18(24)23-10-8-22(9-11-23)16-7-6-14-4-2-3-5-15(14)12-16/h2-5,13,16H,6-12H2,1H3,(H,20,21)
• InChIKey: AXHQFBKFQIFHLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-4-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]-1,3-thiazol-2-amine
• IUPAC Traditional name: N-methyl-4-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]-1,3-thiazol-2-amine
• Synonyms: N-methyl-4-{[4-(1,2,3,4-tetrahydro-2-naphthalenyl)-1-piperazinyl]carbonyl}-1,3-thiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.207918
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.9457939
• LogD (pH = 7.4): 2.5569193
• Log P: 2.8773875
• Molar Refractivity: 102.4318 cm^3
• Polarizability: 38.168713 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.28
• LOG S: -2.89
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 3