N-methyl-5-(morpholin-4-ylmethyl)-N-[1-(1,3-thiazol-5-yl)ethyl]furan-3-carboxamide

• ChemBase ID: 429374
• Molecular Formular: C16H21N3O3S
• Molecular Mass: 335.42124
• Monoisotopic Mass: 335.13036255
• SMILES: c1(C(=O)N(C(c2scnc2)C)C)cc(oc1)CN1CCOCC1
• Canonical SMILES: CN(C(=O)c1coc(c1)CN1CCOCC1)C(c1cncs1)C
• InChI: InChI=1S/C16H21N3O3S/c1-12(15-8-17-11-23-15)18(2)16(20)13-7-14(22-10-13)9-19-3-5-21-6-4-19/h7-8,10-12H,3-6,9H2,1-2H3
• InChIKey: JTSILPJJLDHKCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5-(morpholin-4-ylmethyl)-N-[1-(1,3-thiazol-5-yl)ethyl]furan-3-carboxamide
• IUPAC Traditional name: N-methyl-5-(morpholin-4-ylmethyl)-N-[1-(1,3-thiazol-5-yl)ethyl]furan-3-carboxamide
• Synonyms: N-methyl-5-(4-morpholinylmethyl)-N-[1-(1,3-thiazol-5-yl)ethyl]-3-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6567877
• LogD (pH = 7.4): 0.98048604
• Log P: 0.98666155
• Molar Refractivity: 88.9618 cm^3
• Polarizability: 33.681053 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.46
• LOG S: -2.56
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 5