5,6-Dimethyl-thieno[2,3-d]thiazol-2-ylamine hydrochloride , CAS No.1185303-27-8

CAS: 1185303-27-8 Cat. No.: D966940 Molecular Weight: 220.74 PubChem CID: 45074857

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CC1=C(SC2=C1SC(=N2)N)C.Cl
• IUPAC Name: 5,6-dimethylthieno[2,3-d][1,3]thiazol-2-amine;hydrochloride
• InChIKey: BJIYDQQEUJSQRO-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2S2.ClH/c1-3-4(2)10-6-5(3)11-7(8)9-6;/h1-2H3,(H2,8,9);1H
• Isomeric SMILES: CC1=C(SC2=C1SC(=N2)N)C.Cl
• PubChem CID: 45074857
• Molecular Weight: 220.74

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thienothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thienothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienothiazoles
• Alternative Parents: 2-amino-1,3-thiazoles Thiophenes Heteroaromatic compounds Azacyclic compounds Primary amines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienothiazole - 1,3-thiazol-2-amine - Heteroaromatic compound - Thiophene - Thiazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as thienothiazoles. These are heterocyclic compounds containing a thiophene ring fused to a thiazole. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Thiazole is a 6-membered ring that contains both sulfur and nitrogen.
• 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

Chemical and Physical Properties

• Molecular Weight: 220.700 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 219.99 Da
• Monoisotopic Mass: 219.99 Da
• Topological Polar Surface Area: 95.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 165.000
• 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: 2

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