tert-Butyl 2-amino-6,7-dihydrothiazolo[5,4-b]pyridine-4(5H)-carboxylate - ≥95% , CAS No.1313712-23-0

CAS: 1313712-23-0 Cat. No.: T586972 Molecular Weight: 255.34 PubChem CID: 57366412

GRADE & PURITY ≥95%

Synonyms

Thiazolo[5,4-b]pyridine-4(5H)-carboxylic acid, 2-amino-6,7-dihydro-, 1,1-dimethylethyl ester | 4-Boc-2-amino-4,5,6,7-tetrahydrothiazolo[5,4-b]pyridine | AS-32325 | tert-butyl 2-amino-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridine-4-carboxylate | MFCD19441894

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

Thiazolo[5, 4-b]pyridine-4(5H)-carboxylic acid, 2-amino-6, 7-dihydro-, 1, 1-dimethylethyl ester | 4-Boc-2-amino-4, 5, 6, 7-tetrahydrothiazolo[5, 4-b]pyridine | AS-32325 | tert-butyl 2-amino-6, 7-dihydro-5H-[1, 3]thiazolo[5, 4-b]pyridine-4-carboxylate | MFCD19441894

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Desiccated

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504771580
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771580
• Canonical Smiles: CC(C)(C)OC(=O)N1CCCC2=C1SC(=N2)N
• IUPAC Name: tert-butyl 2-amino-6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridine-4-carboxylate
• InChIKey: LZNIMGWYMCZLLL-UHFFFAOYSA-N
• INCHI: 1S/C11H17N3O2S/c1-11(2,3)16-10(15)14-6-4-5-7-8(14)17-9(12)13-7/h4-6H2,1-3H3,(H2,12,13)
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCCC2=C1SC(=N2)N
• PubChem CID: 57366412
• Molecular Weight: 255.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Thiazoles
        • Level5 Aminothiazoles
          • Level6 2-amino-1,3-thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Aminothiazoles
• Direct Parent: 2-amino-1,3-thiazoles
• Alternative Parents: Heteroaromatic compounds Carbamate esters Tertiary amines Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-thiazol-2-amine - Heteroaromatic compound - Carbamic acid ester - Tertiary amine - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-amino-1,3-thiazoles. These are compounds containing a 1,3-thiazole ring substituted by an amine group at the 2-position.
• 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: 255.340 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 255.104 Da
• Monoisotopic Mass: 255.104 Da
• Topological Polar Surface Area: 96.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 306.000
• 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