2-(3,4,5-trimethoxyphenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine

• ChemBase ID: 122380
• Molecular Formular: C15H18N2O3S
• Molecular Mass: 306.38002
• Monoisotopic Mass: 306.10381345
• SMILES: c1(nc2c(s1)CNCC2)c1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(cc(c1OC)OC)c1nc2c(s1)CNCC2
• InChI: InChI=1S/C15H18N2O3S/c1-18-11-6-9(7-12(19-2)14(11)20-3)15-17-10-4-5-16-8-13(10)21-15/h6-7,16H,4-5,8H2,1-3H3
• InChIKey: KBBZUXKZIATJNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4,5-trimethoxyphenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine
• IUPAC Traditional name: 2-(3,4,5-trimethoxyphenyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine
• Synonyms: 2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine

Database IDs

• PubChem SID: 162216733
• PubChem CID: 16394901

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.9055505
• LogD (pH = 7.4): 0.74495363
• Log P: 1.9442952
• Molar Refractivity: 91.5215 cm^3
• Polarizability: 32.182194 Å^3
• Polar Surface Area: 52.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true