5,6-Dihydro-4H-cyclopenta[d]thiazol-2-amine - ≥95% , CAS No.53051-97-1

CAS: 53051-97-1 Cat. No.: D193774 Molecular Weight: 140.21 EC Number: 671-528-2

GRADE & PURITY ≥95%

Synonyms

IQ7FVP5Q7G | 5,6-dihydro-4H-cyclopentathiazole-2-ylamine | 5,6-dihydro-4H-cyclopentathiazole-2-amine | EN300-34480 | 3,4,5,6-Tetrahydro-2H-cyclopenta[d][1,3]thiazol-2-imine | 3,4,5,6-tetrahydrocyclopenta[d]thiazol-2-imine | 5,6-DIHYDRO-4H-CYCLOPENTATHIAZO

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

IQ7FVP5Q7G | 5, 6-dihydro-4H-cyclopentathiazole-2-ylamine | 5, 6-dihydro-4H-cyclopentathiazole-2-amine | EN300-34480 | 3, 4, 5, 6-Tetrahydro-2H-cyclopenta[d][1, 3]thiazol-2-imine | 3, 4, 5, 6-tetrahydrocyclopenta[d]thiazol-2-imine | 5, 6-DIHYDRO-4H-CYCLOPENTATHIAZO

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CC2=C(C1)SC(=N2)N
• IUPAC Name: 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
• InChIKey: HUKBELGUWQLEFD-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2S/c7-6-8-4-2-1-3-5(4)9-6/h1-3H2,(H2,7,8)
• Isomeric SMILES: C1CC2=C(C1)SC(=N2)N
• Molecular Weight: 140.21
• Reaxy-Rn: 113625
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=113625&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Thiazoles
        • Level5 Aminothiazoles
          • Level6 2-amino-1,3-thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Aminothiazoles
• Direct Parent: 2-amino-1,3-thiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-thiazol-2-amine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-amino-1,3-thiazoles. These are compounds containing a 1,3-thiazole ring substituted by an amine group at the 2-position.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 140.210 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 140.041 Da
• Monoisotopic Mass: 140.041 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 118.000
• 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