5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-N,4-dimethyl-1,3-thiazol-2-amine

• ChemBase ID: 511270
• Molecular Formular: C18H23N3O3S
• Molecular Mass: 361.45852
• Monoisotopic Mass: 361.14601261
• SMILES: c1(C(=O)N2CCC(Oc3c(OC)cccc3)CC2)c(nc(s1)NC)C
• Canonical SMILES: CNc1nc(c(s1)C(=O)N1CCC(CC1)Oc1ccccc1OC)C
• InChI: InChI=1S/C18H23N3O3S/c1-12-16(25-18(19-2)20-12)17(22)21-10-8-13(9-11-21)24-15-7-5-4-6-14(15)23-3/h4-7,13H,8-11H2,1-3H3,(H,19,20)
• InChIKey: LYDPTXXGHVCVHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-N,4-dimethyl-1,3-thiazol-2-amine
• IUPAC Traditional name: 5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-N,4-dimethyl-1,3-thiazol-2-amine
• Synonyms: 5-{[4-(2-methoxyphenoxy)-1-piperidinyl]carbonyl}-N,4-dimethyl-1,3-thiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.841604
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.845219
• LogD (pH = 7.4): 1.8454063
• Log P: 1.8454087
• Molar Refractivity: 98.6283 cm^3
• Polarizability: 36.998627 Å^3
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.26
• LOG S: -2.91
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 5