(Z)-2-(2-Amino-4-thiazolyl)-2-(methoxyimino)acetic Acid - ≥98% , CAS No.65872-41-5

CAS: 65872-41-5 Cat. No.: Z163000 Molecular Weight: 201.2 EC Number: 265-957-0 PubChem CID: 5486924

GRADE & PURITY ≥98%

Synonyms

(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetic acid | syn-2-(2-Aminothiazol-4-yl)-2-methoxyiminoacetic Acid | (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid | CEFEPIME DIHYDROCHLORIDE MONOHYDRATE IMPURITY D [EP IMPURITY] | (Z)-2-Ami

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

(2Z)-2-(2-amino-1, 3-thiazol-4-yl)-2-(methoxyimino)acetic acid | syn-2-(2-Aminothiazol-4-yl)-2-methoxyiminoacetic Acid | (2Z)-2-(2-amino-1, 3-thiazol-4-yl)-2-methoxyiminoacetic acid | CEFEPIME DIHYDROCHLORIDE MONOHYDRATE IMPURITY D [EP IMPURITY] | (Z)-2-Ami

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504763881
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763881
• Canonical Smiles: CON=C(C1=CSC(=N1)N)C(=O)O
• IUPAC Name: (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid
• InChIKey: NLARCUDOUOQRPB-WTKPLQERSA-N
• INCHI: 1S/C6H7N3O3S/c1-12-9-4(5(10)11)3-2-13-6(7)8-3/h2H,1H3,(H2,7,8)(H,10,11)/b9-4-
• Isomeric SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)O
• WGK Germany: 3
• PubChem CID: 5486924
• Molecular Weight: 201.2
• Reaxy-Rn: 1212971

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4-disubstituted thiazoles
• Alternative Parents: 2-amino-1,3-thiazoles Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
• 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

Chemical and Physical Properties

• Solubility: Soluble in Dimethylformamide
• Sensitivity: Air & Moisture sensitive
• Melt Point(°C): 204°C(dec.)(lit.)
• Molecular Weight: 201.210 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 201.021 Da
• Monoisotopic Mass: 201.021 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 233.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1