[2-(morpholin-4-yl)-1,3-thiazol-4-yl]methanol

• ChemBase ID: 75983
• Molecular Formular: C8H12N2O2S
• Molecular Mass: 200.25808
• Monoisotopic Mass: 200.06194863
• SMILES: n1c(N2CCOCC2)scc1CO
• Canonical SMILES: OCc1csc(n1)N1CCOCC1
• InChI: InChI=1S/C8H12N2O2S/c11-5-7-6-13-8(9-7)10-1-3-12-4-2-10/h6,11H,1-5H2
• InChIKey: QJKKFCRFBAXDQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholin-4-yl)-1,3-thiazol-4-yl]methanol
• IUPAC Traditional name: [2-(morpholin-4-yl)-1,3-thiazol-4-yl]methanol
• Synonyms: (2-morpholino-1,3-thiazol-4-yl)methanol; 4-(Hydroxymethyl)-2-(morpholin-4-yl)-1,3-thiazole; (2-Morpholin-4-yl-1,3-thiazol-4-yl)methanol

Database IDs

• CAS Number: 126533-96-8
• MDL Number: MFCD09702411
• PubChem SID: 162040901
• PubChem CID: 10608093

CALCULATED PROPERTIES

• Acid pKa: 13.988886
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.51975334
• LogD (pH = 7.4): 0.51995146
• Log P: 0.51995414
• Molar Refractivity: 50.5365 cm^3
• Polarizability: 19.112955 Å^3
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 118.5-120.5°C

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 97%