2-(3-methoxyphenyl)-1,3-thiazole

• ChemBase ID: 784579
• Molecular Formular: C10H9NOS
• Molecular Mass: 191.24956
• Monoisotopic Mass: 191.04048491
• SMILES: c1(nccs1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1nccs1
• InChI: InChI=1S/C10H9NOS/c1-12-9-4-2-3-8(7-9)10-11-5-6-13-10/h2-7H,1H3
• InChIKey: ZBFVVNZCRMFPGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenyl)-1,3-thiazole
• IUPAC Traditional name: 2-(3-methoxyphenyl)-1,3-thiazole
• Synonyms: 2-(3-methoxyphenyl)-1,3-thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4986625
• LogD (pH = 7.4): 2.4991317
• Log P: 2.4991376
• Molar Refractivity: 62.8312 cm^3
• Polarizability: 20.892883 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.6
• LOG S: -2.82
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2