4-(5-Chlorothiazolo[5，4-d]pyriMidin-7-yl)Morpholine - ≥95% , CAS No.41975-14-8

CAS: 41975-14-8 Cat. No.: M691765 Peso molecular: 256.72 PubChem CID: 57685385

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: C1COCCN1C2=C3C(=NC(=N2)Cl)SC=N3
• IUPAC Name: 4-(5-chloro-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
• InChIKey: FDVSSSZJPRMYFD-UHFFFAOYSA-N
• INCHI: 1S/C9H9ClN4OS/c10-9-12-7(14-1-3-15-4-2-14)6-8(13-9)16-5-11-6/h5H,1-4H2
• Isómeros SMILES: C1COCCN1C2=C3C(=NC(=N2)Cl)SC=N3
• PubChem CID: 57685385
• Peso molecular: 256.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase 1,3-thiazolo[5,4-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 1,3-thiazolo[5,4-d]pyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-thiazolo[5,4-d]pyrimidines
• Alternative Parents: Dialkylarylamines Aminopyrimidines and derivatives 2-halopyrimidines Morpholines Imidolactams Aryl chlorides Thiazoles Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-thiazolo[5,4-d]pyrimidine - Dialkylarylamine - Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Imidolactam - Pyrimidine - Oxazinane - Morpholine - Heteroaromatic compound - Azole - Thiazole - Tertiary amine - Oxacycle - Dialkyl ether - Ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,3-thiazolo[5,4-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a 1,3-thiazolo[5,4-d]pyrimidine ring system, which consists of a 1,3-thiazole ring fused to but not sharing a nitrogen atom with a pyrimidine ring.
• 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: 256.709 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 256.019 Da
• Monoisotopic Mass: 256.019 Da
• Topological Polar Surface Area: 79.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 254.000
• 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