Tert-butyl 4-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate - ≥95% , CAS No.690261-84-8

CAS: 690261-84-8 Cat. No.: T1017329 Número EC: 823-762-3 PubChem CID: 24229290

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(C)(C)OC(=O)N1CCC(CC1)C2=CSC(=N2)N
• IUPAC Name: tert-butyl 4-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate
• InChIKey: SUVKCAMIECRTNV-UHFFFAOYSA-N
• INCHI: 1S/C13H21N3O2S/c1-13(2,3)18-12(17)16-6-4-9(5-7-16)10-8-19-11(14)15-10/h8-9H,4-7H2,1-3H3,(H2,14,15)
• Isómeros SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C2=CSC(=N2)N
• CAS alternativo: 690261-84-8
• PubChem CID: 24229290

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles Heteroaromatic compounds Carbamate esters Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - 2,4-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Azole - Thiazole - Carbamic acid ester - Heteroaromatic compound - Azacycle - Amine - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
• 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: 283.390 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 283.135 Da
• Monoisotopic Mass: 283.135 Da
• Topological Polar Surface Area: 96.700 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 324.000
• 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