4-Chlorothiazolo[5,4-c]pyridin-2-amine - ≥95% , CAS No.1439824-01-7

CAS: 1439824-01-7 Cat. No.: C1058006 Peso molecular: 185.64 PubChem CID: 75464887

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: C1=CN=C(C2=C1N=C(S2)N)Cl
• IUPAC Name: 4-chloro-[1,3]thiazolo[5,4-c]pyridin-2-amine
• InChIKey: LYEBMENNSPEVTF-UHFFFAOYSA-N
• INCHI: 1S/C6H4ClN3S/c7-5-4-3(1-2-9-5)10-6(8)11-4/h1-2H,(H2,8,10)
• Isómeros SMILES: C1=CN=C(C2=C1N=C(S2)N)Cl
• PubChem CID: 75464887
• Peso molecular: 185.64

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Thiazolines Thiazoles Heteroaromatic compounds Vinyl chlorides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Chloroalkenes Carboximidamides Azacyclic compounds Aldimines Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-halopyridine - Heteroaromatic compound - Meta-thiazoline - Thiazole - Azole - Azacycle - Chloroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Vinyl halide - Vinyl chloride - Aldimine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
• 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: 185.640 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 184.981 Da
• Monoisotopic Mass: 184.981 Da
• Topological Polar Surface Area: 80.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 157.000
• 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