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 Peso molecular: 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

Sinónimos

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

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

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

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504771580
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771580
• Sonrisas canónicas: 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)
• Isómeros SMILES: CC(C)(C)OC(=O)N1CCCC2=C1SC(=N2)N
• PubChem CID: 57366412
• Peso molecular: 255.34

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 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