[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol

• ChemBase ID: 77770
• Molecular Formular: C8H12N2O2S
• Molecular Mass: 200.25808
• Monoisotopic Mass: 200.06194863
• SMILES: n1c(N2CCOCC2)sc(c1)CO
• Canonical SMILES: OCc1cnc(s1)N1CCOCC1
• InChI: InChI=1S/C8H12N2O2S/c11-6-7-5-9-8(13-7)10-1-3-12-4-2-10/h5,11H,1-4,6H2
• InChIKey: VRNQHSDSVNEOKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol
• IUPAC Traditional name: [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol
• Synonyms: 5-(Hydroxymethyl)-2-(morpholin-4-yl)-1,3-thiazole 97%; [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol

Database IDs

• CAS Number: 921938-89-8
• MDL Number: MFCD09879935
• PubChem SID: 162042639
• PubChem CID: 24229673

CALCULATED PROPERTIES

• Acid pKa: 14.189793
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.57038444
• LogD (pH = 7.4): 0.5709148
• Log P: 0.57092166
• Molar Refractivity: 50.8428 cm^3
• Polarizability: 19.115358 Å^3
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100.5-102°C; 101 - 103°C
• Hydrophobicity(logP): -0.504

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 95%