Ethyl 2-aminothiazole-5-carboxylate - ≥97% , CAS No.32955-21-8

CAS: 32955-21-8 Cat. No.: E119079 Molecular Weight: 172.2 EC Number: 676-105-6

GRADE & PURITY ≥97%

Synonyms

2-Amino-5-(ethoxycarbonyl)thiazole | 2Z-0725 | Tox21_111744 | VNZXERIGKZNEKB-UHFFFAOYSA-N | 2-AMINO-5-THIAZOLECARBOXYLIC ACID ETHYL ESTER | 2-amino-thiazole-5-carboxylic acid ethyl ester | 2-aminothiazole-5-carboxylic acid ethyl ester | 5-thiazolecarboxyl

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2-Amino-5-(ethoxycarbonyl)thiazole | 2Z-0725 | Tox21_111744 | VNZXERIGKZNEKB-UHFFFAOYSA-N | 2-AMINO-5-THIAZOLECARBOXYLIC ACID ETHYL ESTER | 2-amino-thiazole-5-carboxylic acid ethyl ester | 2-aminothiazole-5-carboxylic acid ethyl ester | 5-thiazolecarboxyl

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCOC(=O)C1=CN=C(S1)N
• IUPAC Name: ethyl 2-amino-1,3-thiazole-5-carboxylate
• InChIKey: VNZXERIGKZNEKB-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2O2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3,(H2,7,8)
• Isomeric SMILES: CCOC(=O)C1=CN=C(S1)N
• WGK Germany: 2
• Alternate CAS: 32955-21-8
• NSC Number: 233051
• Molecular Weight: 172.2
• Reaxy-Rn: 138036
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=138036&ln=

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: Thiazolecarboxylic acids and derivatives
• Alternative Parents: 2,5-disubstituted thiazoles 2-amino-1,3-thiazoles Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiazolecarboxylic acid or derivatives - 2,5-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiazolecarboxylic acids and derivatives. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid group (or a derivative thereof).
• 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: Insoluble in water; Slightly soluble in Methanol
• Sensitivity: Light Sensitive,Moisture Sensitive,Heat Sensitive
• Melt Point(°C): 161 °C
• Molecular Weight: 172.210 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 172.031 Da
• Monoisotopic Mass: 172.031 Da
• Topological Polar Surface Area: 93.500 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