2-[4-methyl-2-(3-methylpyridin-2-yl)-1,3-thiazol-5-yl]ethyl formate

• ChemBase ID: 298067
• Molecular Formular: C13H14N2O2S
• Molecular Mass: 262.32746
• Monoisotopic Mass: 262.0775987
• SMILES: Cc1cccnc1c1nc(c(s1)CCOC=O)C
• Canonical SMILES: O=COCCc1sc(nc1C)c1ncccc1C
• InChI: InChI=1S/C13H14N2O2S/c1-9-4-3-6-14-12(9)13-15-10(2)11(18-13)5-7-17-8-16/h3-4,6,8H,5,7H2,1-2H3
• InChIKey: BYFWHFDGVMFVEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-methyl-2-(3-methylpyridin-2-yl)-1,3-thiazol-5-yl]ethyl formate
• IUPAC Traditional name: 2-[4-methyl-2-(3-methylpyridin-2-yl)-1,3-thiazol-5-yl]ethyl formate
• Synonyms: Ethyl 2-(3-methyl-2-pyridyl)-4-methylthiazole-5-carboxylate; 2-(3-甲基-2-吡啶基)-4-甲基噻唑-5-羧酸乙酯

Database IDs

• MDL Number: MFCD16660852
• PubChem SID: 180683598
• PubChem CID: 73995332

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5159447
• LogD (pH = 7.4): 2.5159557
• Log P: 2.515956
• Molar Refractivity: 79.5982 cm^3
• Polarizability: 27.315567 Å^3
• Polar Surface Area: 52.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%