CL-423237 - ≥98% , CAS No.91215-17-7

CAS: 91215-17-7 Cat. No.: C416710 Formule: C₁₁H₁₄N₂S Poids moléculaire: 206.31 Numéro CE: 100-336-9

GRADE & PURITY ≥98%

Synonyms

(4,5-Dihydro-thiazol-2-yl)-phenethyl-amine | MLS001174248 | DTXSID40368530 | WAY-106577 | SCHEMBL2017733 | N-Phenethyl-4,5-dihydrothiazol-2-amine | 3-tert-Butoxycarbonylamino-5-tert-butylthiophene-2-carboxylicacid | N-(2-phenylethyl)-4,5-dihydro-1,3-thiaz

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Antimicrobial activity

Specifications

Synonymes

(4,5-Dihydro-thiazol-2-yl)-phenethyl-amine | MLS001174248 | DTXSID40368530 | WAY-106577 | SCHEMBL2017733 | N-Phenethyl-4,5-dihydrothiazol-2-amine | 3-tert-Butoxycarbonylamino-5-tert-butylthiophene-2-carboxylicacid | N-(2-phenylethyl)-4,5-dihydro-1,3-thiaz

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Pureté

≥98%

Propriétés du produit

• ALogP: -1.213
• hba_count: 5
• Nombre de HBD: 3
• Liaison rotative: 4

Noms et identifiants

• Pubchem Sid: 504760726
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760726
• Sourires canoniques: C1CSC(=N1)NCCC2=CC=CC=C2
• IUPAC Name: N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
• InChIKey: WMGJVTLPBGGVBQ-UHFFFAOYSA-N
• INCHI: 1S/C11H14N2S/c1-2-4-10(5-3-1)6-7-12-11-13-8-9-14-11/h1-5H,6-9H2,(H,12,13)
• Isomères SMILES: C1CSC(=N1)NCCC2=CC=CC=C2
• Poids moléculaire: 206.31
• Reaxy-Rn: 975481
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=975481&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Thiazolines Isothioureas Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Meta-thiazoline - Isothiourea - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Cibles associées (non humaines)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10
• Poids moléculaire: 206.310 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 206.088 Da
• Monoisotopic Mass: 206.088 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 197.000
• 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