2-amino-4-(1,3-thiazol-2-yloxy)phenol

• ChemBase ID: 235940
• Molecular Formular: C9H8N2O2S
• Molecular Mass: 208.23702
• Monoisotopic Mass: 208.03064851
• SMILES: c1(nccs1)Oc1cc(c(cc1)O)N
• Canonical SMILES: Oc1ccc(cc1N)Oc1nccs1
• InChI: InChI=1S/C9H8N2O2S/c10-7-5-6(1-2-8(7)12)13-9-11-3-4-14-9/h1-5,12H,10H2
• InChIKey: KJRNAVJRYJWNRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-(1,3-thiazol-2-yloxy)phenol
• IUPAC Traditional name: 2-amino-4-(1,3-thiazol-2-yloxy)phenol
• Synonyms: 2-amino-4-(1,3-thiazol-2-yloxy)phenol

Database IDs

• MDL Number: MFCD22196480
• PubChem SID: 164291850
• PubChem CID: 71755607

CALCULATED PROPERTIES

• Acid pKa: 10.305809
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6807669
• LogD (pH = 7.4): 1.6835011
• Log P: 1.6840845
• Molar Refractivity: 53.6618 cm^3
• Polarizability: 20.238314 Å^3
• Polar Surface Area: 68.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.06

Product Information

• Purity: 95%