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

• ChemBase ID: 267562
• Molecular Formular: C7H10N2OS
• Molecular Mass: 170.2321
• Monoisotopic Mass: 170.05138395
• SMILES: c1(nccs1)C1OCCNC1
• Canonical SMILES: C1COC(CN1)c1nccs1
• InChI: InChI=1S/C7H10N2OS/c1-3-10-6(5-8-1)7-9-2-4-11-7/h2,4,6,8H,1,3,5H2
• InChIKey: GBGMYPGSDOAQHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18483164
• PubChem SID: 164323472
• PubChem CID: 53414274

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7379124
• LogD (pH = 7.4): -0.10544451
• Log P: 0.2570097
• Molar Refractivity: 42.6612 cm^3
• Polarizability: 16.991352 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.506

Product Information

• Purity: 95%