(2-cyclopropyl-1,3-thiazol-5-yl)methanol

• ChemBase ID: 88464
• Molecular Formular: C7H9NOS
• Molecular Mass: 155.21746
• Monoisotopic Mass: 155.04048491
• SMILES: s1c(ncc1CO)C1CC1
• Canonical SMILES: OCc1cnc(s1)C1CC1
• InChI: InChI=1S/C7H9NOS/c9-4-6-3-8-7(10-6)5-1-2-5/h3,5,9H,1-2,4H2
• InChIKey: PRWLWJHRNASHSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-cyclopropyl-1,3-thiazol-5-yl)methanol
• IUPAC Traditional name: (2-cyclopropyl-1,3-thiazol-5-yl)methanol
• Synonyms: (2-Cyclopropyl-1,3-thiazol-5-yl)methanol; 2-Cyclopropyl-5-(hydroxymethyl)-1,3-thiazole

Database IDs

• PubChem SID: 162104595
• PubChem CID: 53395568

CALCULATED PROPERTIES

• Acid pKa: 14.039184
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.89912623
• LogD (pH = 7.4): 0.8999782
• Log P: 0.8999892
• Molar Refractivity: 39.7063 cm^3
• Polarizability: 15.313797 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Keep Cold