2-Amino-5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl]thiazol-4(5H)-one - ≥98%(HPLC)(T) , CAS No.105355-26-8

CAS: 105355-26-8 Cat. No.: A151166 Peso molecular: 355.46

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

2-amino-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)methyl)-4(5h)-thiazolone | 5-{4-2-(5-ethyl-2-pyridyl)ethoxybenzyl}-2-imino-4-thiazolidinone | ABGJULHDDNEULW-UHFFFAOYSA-N | BCP11196 | AKOS015900316 | 2-Amino-5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl]thi

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-amino-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)methyl)-4(5h)-thiazolone | 5-{4-2-(5-ethyl-2-pyridyl)ethoxybenzyl}-2-imino-4-thiazolidinone | ABGJULHDDNEULW-UHFFFAOYSA-N | BCP11196 | AKOS015900316 | 2-Amino-5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl]thi

Especificaciones y pureza

≥98%(HPLC)(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)(T)

Nombres e identificadores

• Pubchem Sid: 504766398
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766398
• Sonrisas canónicas: CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)N=C(S3)N
• IUPAC Name: 2-amino-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one
• InChIKey: ABGJULHDDNEULW-UHFFFAOYSA-N
• INCHI: 1S/C19H21N3O2S/c1-2-13-3-6-15(21-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(23)22-19(20)25-17/h3-8,12,17H,2,9-11H2,1H3,(H2,20,22,23)
• Isómeros SMILES: CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)N=C(S3)N
• Peso molecular: 355.46
• Reaxy-Rn: 34485248
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34485248&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Pyridines and derivatives Thiazolines Heteroaromatic compounds N-acylimines Isothioureas Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Carboximidamides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Meta-thiazoline - Isothiourea - N-acylimine - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene 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

• Punto de fusión (°C): 196 °C
• Peso molecular: 355.500 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 355.135 Da
• Monoisotopic Mass: 355.135 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 477.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1