[3-(1,3-thiazol-2-yloxy)phenyl]methanamine hydrochloride

• ChemBase ID: 246896
• Molecular Formular: C10H11ClN2OS
• Molecular Mass: 242.72514
• Monoisotopic Mass: 242.02806166
• SMILES: c1(nccs1)Oc1cc(CN)ccc1.Cl
• Canonical SMILES: NCc1cccc(c1)Oc1nccs1.Cl
• InChI: InChI=1S/C10H10N2OS.ClH/c11-7-8-2-1-3-9(6-8)13-10-12-4-5-14-10;/h1-6H,7,11H2;1H
• InChIKey: JJTXXHYJEBYKNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(1,3-thiazol-2-yloxy)phenyl]methanamine hydrochloride
• IUPAC Traditional name: [3-(1,3-thiazol-2-yloxy)phenyl]methanamine hydrochloride
• Synonyms: [3-(1,3-thiazol-2-yloxy)phenyl]methanamine hydrochloride

Database IDs

• PubChem SID: 164302806
• PubChem CID: 71758105

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0314987
• LogD (pH = 7.4): 0.005928915
• Log P: 1.9423442
• Molar Refractivity: 55.4539 cm^3
• Polarizability: 21.809105 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.536

Product Information

• Purity: 95%