Ethyl 4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylate hydrochloride - ≥97% , CAS No.1186663-33-1

CAS: 1186663-33-1 Cat. No.: E189937 Molecular Weight: 248.73

GRADE & PURITY ≥97%

Synonyms

1186663-33-1 | DTXSID50693906 | AC-29521 | DS-16896 | A893041 | AKOS015904149 | Ethyl 4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylate, HCl | ethyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate;hydrochloride | Ethyl 4,5,6,7-Tetrahyd

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1186663-33-1 | DTXSID50693906 | AC-29521 | DS-16896 | A893041 | AKOS015904149 | Ethyl 4, 5, 6, 7-tetrahydrothiazolo[5, 4-c]pyridine-2-carboxylate, HCl | ethyl 4, 5, 6, 7-tetrahydro-[1, 3]thiazolo[5, 4-c]pyridine-2-carboxylate;hydrochloride | Ethyl 4, 5, 6, 7-Tetrahyd

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCOC(=O)C1=NC2=C(S1)CNCC2.Cl
• IUPAC Name: ethyl 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate;hydrochloride
• InChIKey: OLRBCGKGFYFCDL-UHFFFAOYSA-N
• INCHI: 1S/C9H12N2O2S.ClH/c1-2-13-9(12)8-11-6-3-4-10-5-7(6)14-8;/h10H,2-5H2,1H3;1H
• Isomeric SMILES: CCOC(=O)C1=NC2=C(S1)CNCC2.Cl
• Molecular Weight: 248.73
• Reaxy-Rn: 26798650
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26798650&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: Aralkylamines Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Dialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thiazolecarboxylic acid or derivatives - Aralkylamine - Heteroaromatic compound - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Amine - Hydrochloride - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic 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

• Molecular Weight: 248.730 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 248.039 Da
• Monoisotopic Mass: 248.039 Da
• Topological Polar Surface Area: 79.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 225.000
• 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: 2

XLogP3