N,4-dimethyl-5-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]-1,3-thiazol-2-amine

• ChemBase ID: 363957
• Molecular Formular: C20H26N4OS
• Molecular Mass: 370.51164
• Monoisotopic Mass: 370.18273247
• SMILES: c1(C(=O)N2CCN(C3Cc4c(CC3)cccc4)CC2)c(nc(s1)NC)C
• Canonical SMILES: CNc1sc(c(n1)C)C(=O)N1CCN(CC1)C1CCc2c(C1)cccc2
• InChI: InChI=1S/C20H26N4OS/c1-14-18(26-20(21-2)22-14)19(25)24-11-9-23(10-12-24)17-8-7-15-5-3-4-6-16(15)13-17/h3-6,17H,7-13H2,1-2H3,(H,21,22)
• InChIKey: MUJOJDWYRMOXCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4-dimethyl-5-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]-1,3-thiazol-2-amine
• IUPAC Traditional name: N,4-dimethyl-5-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine-1-carbonyl]-1,3-thiazol-2-amine
• Synonyms: N,4-dimethyl-5-{[4-(1,2,3,4-tetrahydro-2-naphthalenyl)-1-piperazinyl]carbonyl}-1,3-thiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.839396
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0239614
• LogD (pH = 7.4): 2.530898
• Log P: 2.7553468
• Molar Refractivity: 107.1794 cm^3
• Polarizability: 39.929237 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: 1.74
• LOG S: -3.39
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 3