Propazolamide , CAS No.98-75-9

CAS: 98-75-9 Cat. No.: P669089 Formule: C₅H₈N₄O₃S₂ Poids moléculaire: 236.3 PubChem CID: 10354098

Synonyms

Propazolamide|Propazolamide [INN]|N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide|5-propylamido-2-sulfamoyl-1,3,4-thiadiazole|5-Propionamido-1,3,4-thiadiazole-2-sulfonamide|VFG|N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propionamide

Storage

Room temperature

Spécifications

Synonymes

Propazolamide | Propazolamide [INN] | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide | 5-propylamido-2-sulfamoyl-1,3,4-thiadiazole | 5-Propionamido-1,3,4-thiadiazole-2-sulfonamide | VFG | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propionamide

Conditions de stockage de stockage

Room temperature

Propriétés du produit

ALogP

0.2

Noms et identifiants

Sourires canoniques

CCC(=O)NC1=NN=C(S1)S(=O)(=O)N

IUPAC Name

N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide

InChIKey

PCBBBQKRWNGNDW-UHFFFAOYSA-N

INCHI

1S/C5H8N4O3S2/c1-2-3(10)7-4-8-9-5(13-4)14(6,11)12/h2H2,1H3,(H2,6,11,12)(H,7,8,10)

Isomères SMILES

CCC(=O)NC1=NN=C(S1)S(=O)(=O)N

PubChem CID

10354098

Poids moléculaire

236.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Thiadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Thiadiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiadiazole sulfonamides
• Alternative Parents: N-arylamides Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,3,4-thiadiazole-2-sulfonamide - N-arylamide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiadiazole sulfonamides. These are heterocyclic compounds containing a thiazole ring substituted by at least one sulfonamide 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

Cibles associées (humaines)

CA1 Tclin Carbonic anhydrase 1 (1 Activities)

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CA2 Tclin Carbonic anhydrase 2 (1 Activities)

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CA4 Tclin Carbonic anhydrase 4 (1 Activities)

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CA9 Tclin Carbonic anhydrase 9 (1 Activities)

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CA2 Tclin Carbonic anhydrase II (17698 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

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Cibles associées (non humaines)

CA4 Carbonic anhydrase IV (1713 Activities)

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Enterococcus faecium (13803 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 236.300 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 236.004 Da
• Monoisotopic Mass: 236.004 Da
• Topological Polar Surface Area: 152.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 311.000
• 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