N-Methoxy-N-methyl thiazole-5-carboxamide - ≥98% , CAS No.898825-89-3

CAS: 898825-89-3 Cat. No.: N187924 Peso molecular: 172.2

GRADE & PURITY ≥98%

Synonyms

E87594 | N-Methoxy-N-methylthiazole-5-carboxamide | 5-Thiazolecarboxamide,N-methoxy-N-methyl- | N-Methoxy-N-methyl-1,3-thiazole-5-carboxamide | MFCD08689496 | N-Methoxy-N-methyl thiazole-5-carboxamide | SCHEMBL2510458 | BS-29670 | YKB82589 | OHCWGRKUQDBZN

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

E87594 | N-Methoxy-N-methylthiazole-5-carboxamide | 5-Thiazolecarboxamide, N-methoxy-N-methyl- | N-Methoxy-N-methyl-1, 3-thiazole-5-carboxamide | MFCD08689496 | N-Methoxy-N-methyl thiazole-5-carboxamide | SCHEMBL2510458 | BS-29670 | YKB82589 | OHCWGRKUQDBZN

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CN(C(=O)C1=CN=CS1)OC
• IUPAC Name: N-methoxy-N-methyl-1,3-thiazole-5-carboxamide
• InChIKey: OHCWGRKUQDBZNM-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2O2S/c1-8(10-2)6(9)5-3-7-4-11-5/h3-4H,1-2H3
• Isómeros SMILES: CN(C(=O)C1=CN=CS1)OC
• Peso molecular: 172.2
• Reaxy-Rn: 14575507
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14575507&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Thiazoles
        • Level5 Thiazolecarboxylic acids and derivatives
          • Level6 Thiazolecarboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Thiazolecarboxylic acids and derivatives
• Direct Parent: Thiazolecarboxamides
• Alternative Parents: Heteroaromatic compounds Carboxylic acids and derivatives Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiazolecarboxamide - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiazolecarboxamides. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid amide group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 172.210 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 172.031 Da
• Monoisotopic Mass: 172.031 Da
• Topological Polar Surface Area: 70.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 154.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1