5-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}-N,4-dimethyl-1,3-thiazol-2-amine

• ChemBase ID: 376886
• Molecular Formular: C17H25N5O2S
• Molecular Mass: 363.4777
• Monoisotopic Mass: 363.17289607
• SMILES: c1(C(=O)N2CC(c3n(ccn3)CCOC)CCC2)c(nc(s1)NC)C
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)c1sc(nc1C)NC
• InChI: InChI=1S/C17H25N5O2S/c1-12-14(25-17(18-2)20-12)16(23)22-7-4-5-13(11-22)15-19-6-8-21(15)9-10-24-3/h6,8,13H,4-5,7,9-11H2,1-3H3,(H,18,20)
• InChIKey: KRNBGDBYBIUIBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.841116
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.29898173
• LogD (pH = 7.4): 0.92995054
• Log P: 0.9577736
• Molar Refractivity: 99.1588 cm^3
• Polarizability: 36.77643 Å^3
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.55
• LOG S: -2.69
• Polar Surface Area: 72.28 Å^2
• Rotatable Bonds: 6