N-methoxy-N-methyl-1,3-thiazole-2-carboxamide

• ChemBase ID: 810407
• Molecular Formular: C6H8N2O2S
• Molecular Mass: 172.20492
• Monoisotopic Mass: 172.03064851
• SMILES: s1c(ncc1)C(=O)N(C)OC
• Canonical SMILES: CON(C(=O)c1nccs1)C
• InChI: InChI=1S/C6H8N2O2S/c1-8(10-2)6(9)5-7-3-4-11-5/h3-4H,1-2H3
• InChIKey: ARILZOAFLUMHJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxy-N-methyl-1,3-thiazole-2-carboxamide
• IUPAC Traditional name: N-methoxy-N-methyl-1,3-thiazole-2-carboxamide
• Synonyms: N-METHOXY-N-METHYL-THIAZOLE-2-CARBOXAMIDE

Database IDs

• CAS Number: 885278-18-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.45867857
• LogD (pH = 7.4): 0.45867884
• Log P: 0.45867884
• Molar Refractivity: 40.9656 cm^3
• Polarizability: 15.472244 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%