2-(4-tert-butyl-1,3-thiazol-2-yl)morpholine

• ChemBase ID: 267502
• Molecular Formular: C11H18N2OS
• Molecular Mass: 226.33842
• Monoisotopic Mass: 226.11398421
• SMILES: n1c(scc1C(C)(C)C)C1OCCNC1
• Canonical SMILES: CC(c1csc(n1)C1OCCNC1)(C)C
• InChI: InChI=1S/C11H18N2OS/c1-11(2,3)9-7-15-10(13-9)8-6-12-4-5-14-8/h7-8,12H,4-6H2,1-3H3
• InChIKey: DZECWAJGOYTBDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18089376
• PubChem SID: 164323412
• PubChem CID: 50986347

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.11157637
• LogD (pH = 7.4): 1.7737896
• Log P: 2.1879163
• Molar Refractivity: 60.9551 cm^3
• Polarizability: 24.246723 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.32

Product Information

• Purity: 95%