4-(1-phenoxyethyl)-1,3-thiazol-2-amine

• ChemBase ID: 307198
• Molecular Formular: C11H12N2OS
• Molecular Mass: 220.29078
• Monoisotopic Mass: 220.06703401
• SMILES: n1c(csc1N)C(Oc1ccccc1)C
• Canonical SMILES: Nc1scc(n1)C(Oc1ccccc1)C
• InChI: InChI=1S/C11H12N2OS/c1-8(10-7-15-11(12)13-10)14-9-5-3-2-4-6-9/h2-8H,1H3,(H2,12,13)
• InChIKey: IOYUQHJSBCNHPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-phenoxyethyl)-1,3-thiazol-2-amine
• IUPAC Traditional name: 4-(1-phenoxyethyl)-1,3-thiazol-2-amine
• Synonyms: 4-(1-phenoxyethyl)-1,3-thiazol-2-amine

Database IDs

• CAS Number: 915921-97-0
• MDL Number: MFCD08691552

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6895723
• LogD (pH = 7.4): 2.7042105
• Log P: 2.7044005
• Molar Refractivity: 60.4876 cm^3
• Polarizability: 23.187353 Å^3
• Polar Surface Area: 48.14 Å^2