4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine

• ChemBase ID: 243488
• Molecular Formular: C14H16N2O2S
• Molecular Mass: 276.35404
• Monoisotopic Mass: 276.09324876
• SMILES: c1(nc(cs1)c1c(OC)cccc1)N1CCOCC1
• Canonical SMILES: COc1ccccc1c1csc(n1)N1CCOCC1
• InChI: InChI=1S/C14H16N2O2S/c1-17-13-5-3-2-4-11(13)12-10-19-14(15-12)16-6-8-18-9-7-16/h2-5,10H,6-9H2,1H3
• InChIKey: JCEADSNDLXJSOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
• IUPAC Traditional name: 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
• Synonyms: 4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine

Database IDs

• MDL Number: MFCD03482307
• PubChem SID: 164299398
• PubChem CID: 4381389

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0810964
• LogD (pH = 7.4): 3.0812347
• Log P: 3.0812364
• Molar Refractivity: 75.4702 cm^3
• Polarizability: 30.02997 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.091

Product Information

• Purity: 95%