2-Piperidinyl-4-bromothiazole , CAS No.45787499

CAS: 45787499 Cat. No.: P1259062 Formule: C₈H₁₁BrN₂S Poids moléculaire: 247.16

Storage

Room temperature

Shipped In

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Spécifications

Conditions de stockage de stockage

Room temperature

Expédié en

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Noms et identifiants

Sourires canoniques

C1CCN(CC1)C2=NC(=CS2)Br

IUPAC Name

4-bromo-2-piperidin-1-yl-1,3-thiazole

InChIKey

TXOTYFXRRSJMLF-UHFFFAOYSA-N

INCHI

1S/C8H11BrN2S/c9-7-6-12-8(10-7)11-4-2-1-3-5-11/h6H,1-5H2

Poids moléculaire

247.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: 2,4-disubstituted thiazoles Piperidines Aryl bromides 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - 2,4-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Piperidine - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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

Propriétés chimiques et physiques

• Poids moléculaire: 247.160 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 245.983 Da
• Monoisotopic Mass: 245.983 Da
• Topological Polar Surface Area: 44.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 150.000
• 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