6-(pyridin-2-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde - ≥97% , CAS No.139359-78-7

CAS: 139359-78-7 Cat. No.: I635602 Peso molecular: 229.26 PubChem CID: 3776207

GRADE & PURITY ≥97%

Synonyms

P19422 | AS-79398 | MFCD05179476 | SY322811 | AKOS005145420 | DTXSID00396278 | 6-(Pyridin-2-yl)imidazo[2,1-b]thiazole-5-carbaldehyde | Imidazo[2,1-b]thiazole-5-carboxaldehyde, 6-(2-pyridinyl)- | 6-(PYRIDIN-2-YL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

P19422 | AS-79398 | MFCD05179476 | SY322811 | AKOS005145420 | DTXSID00396278 | 6-(Pyridin-2-yl)imidazo[2, 1-b]thiazole-5-carbaldehyde | Imidazo[2, 1-b]thiazole-5-carboxaldehyde, 6-(2-pyridinyl)- | 6-(PYRIDIN-2-YL)IMIDAZO[2, 1-B][1, 3]THIAZOLE-5-CARBALDEHYDE |

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=NC(=C1)C2=C(N3C=CSC3=N2)C=O
• IUPAC Name: 6-pyridin-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
• InChIKey: HQEJRIFSGSSUOR-UHFFFAOYSA-N
• INCHI: 1S/C11H7N3OS/c15-7-9-10(8-3-1-2-4-12-8)13-11-14(9)5-6-16-11/h1-7H
• Isómeros SMILES: C1=CC=NC(=C1)C2=C(N3C=CSC3=N2)C=O
• CAS alternativo: 139359-78-7
• PubChem CID: 3776207
• Peso molecular: 229.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Imidazothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Imidazothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazothiazoles
• Alternative Parents: Carbonylimidazoles Aryl-aldehydes Pyridines and derivatives N-substituted imidazoles Thiazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazothiazole - Imidazole-4-carbonyl group - Aryl-aldehyde - N-substituted imidazole - Pyridine - Azole - Imidazole - Thiazole - Heteroaromatic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aldehyde - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as imidazothiazoles. These are organic polycyclic compounds containing an imidazole ring fused to a thiazole ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Thiazole is a 6-membered ring that contains both sulfur and nitrogen.
• 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: 229.260 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 229.031 Da
• Monoisotopic Mass: 229.031 Da
• Topological Polar Surface Area: 75.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 276.000
• 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