2-(4-methyl-1,3-thiazol-2-yl)morpholine

• ChemBase ID: 267500
• Molecular Formular: C8H12N2OS
• Molecular Mass: 184.25868
• Monoisotopic Mass: 184.06703401
• SMILES: c1(nc(cs1)C)C1OCCNC1
• Canonical SMILES: Cc1csc(n1)C1CNCCO1
• InChI: InChI=1S/C8H12N2OS/c1-6-5-12-8(10-6)7-4-9-2-3-11-7/h5,7,9H,2-4H2,1H3
• InChIKey: CUCRHVGVBRIYEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD17976974
• PubChem SID: 164323410
• PubChem CID: 50987743

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7097006
• LogD (pH = 7.4): -0.040358778
• Log P: 0.38837987
• Molar Refractivity: 47.2527 cm^3
• Polarizability: 18.741684 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.0070

Product Information

• Purity: 95%