WAY-345115 - 10mM in DMSO , CAS No.743444-82-8

CAS: 743444-82-8 Cat. No.: W425787 Formule: C₈H₁₂N₄O₂S Poids moléculaire: 228.27 Numéro CE: 193-264-2 PubChem CID: 2113379

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

NK-3 receptor antagonists

Specifications

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Propriétés du produit

ALogP

-0.385

Nombre de HBD

2

Liaison rotative

2

Noms et identifiants

Sourires canoniques

C1COCCN1C2=NC(=CS2)C(=O)NN

IUPAC Name

2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

InChIKey

PYGOQUVVURRPDE-UHFFFAOYSA-N

INCHI

1S/C8H12N4O2S/c9-11-7(13)6-5-15-8(10-6)12-1-3-14-4-2-12/h5H,1-4,9H2,(H,11,13)

Isomères SMILES

C1COCCN1C2=NC(=CS2)C(=O)NN

PubChem CID

2113379

Poids moléculaire

228.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Thiazoles
        • Level5 Thiazolecarboxylic acids and derivatives
          • Level6 Thiazolecarboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Thiazolecarboxylic acids and derivatives
• Direct Parent: Thiazolecarboxamides
• Alternative Parents: Dialkylarylamines 2,4-disubstituted thiazoles Morpholines 2-amino-1,3-thiazoles Heteroaromatic compounds Carboxylic acid hydrazides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiazolecarboxamide - Dialkylarylamine - 2,4-disubstituted 1,3-thiazole - Morpholine - Oxazinane - 1,3-thiazol-2-amine - Heteroaromatic compound - Carboxylic acid hydrazide - Azacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiazolecarboxamides. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid amide 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

• DMSO (mM) Solubilité maximale: 10
• Poids moléculaire: 228.270 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 228.068 Da
• Monoisotopic Mass: 228.068 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 235.000
• 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