N-methoxy-N-methyl-1,3-thiazole-5-carboxamide

• ChemBase ID: 87814
• Molecular Formular: C6H8N2O2S
• Molecular Mass: 172.20492
• Monoisotopic Mass: 172.03064851
• SMILES: n1csc(c1)C(=O)N(OC)C
• Canonical SMILES: CN(C(=O)c1cncs1)OC
• InChI: InChI=1S/C6H8N2O2S/c1-8(10-2)6(9)5-3-7-4-11-5/h3-4H,1-2H3
• InChIKey: OHCWGRKUQDBZNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxy-N-methyl-1,3-thiazole-5-carboxamide
• IUPAC Traditional name: N-methoxy-N-methyl-1,3-thiazole-5-carboxamide
• Synonyms: N-Methoxy-N-methyl-1,3-thiazole-5-carboxamide 98%

Database IDs

• CAS Number: 898825-89-3
• MDL Number: MFCD08689496
• PubChem SID: 162074854
• PubChem CID: 25307138

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.21357058
• LogD (pH = 7.4): 0.21357334
• Log P: 0.21357337
• Molar Refractivity: 41.2725 cm^3
• Polarizability: 15.469338 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54-56°C

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold