(S)-N-(2-Amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)propionamide - ≥97% , CAS No.106006-84-2

CAS: 106006-84-2 Cat. No.: S586269 Molecular Weight: 225.31 EC Number: 600-709-0 PubChem CID: 25417135

GRADE & PURITY ≥97%

Synonyms

J-501700 | UNII-M32W093504 | 112GI017 | N-[(6S)-2-Amino-4,5,6,7-tetrahydro-6-benzothiazolyl]propanamide; (S)-N-(2-Amino-4,5,6,7-tetrahydro-6-benzothiazolyl)propanamide; Pramipexole Dihydrochloride Monohydrate Impurity E; Pramipexole Impurity E | AC-23123

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

J-501700 | UNII-M32W093504 | 112GI017 | N-[(6S)-2-Amino-4, 5, 6, 7-tetrahydro-6-benzothiazolyl]propanamide; (S)-N-(2-Amino-4, 5, 6, 7-tetrahydro-6-benzothiazolyl)propanamide; Pramipexole Dihydrochloride Monohydrate Impurity E; Pramipexole Impurity E | AC-23123

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCC(=O)NC1CCC2=C(C1)SC(=N2)N
• IUPAC Name: N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]propanamide
• InChIKey: VVPFOYOFGUBZRY-LURJTMIESA-N
• INCHI: 1S/C10H15N3OS/c1-2-9(14)12-6-3-4-7-8(5-6)15-10(11)13-7/h6H,2-5H2,1H3,(H2,11,13)(H,12,14)/t6-/m0/s1
• Isomeric SMILES: CCC(=O)N[C@H]1CCC2=C(C1)SC(=N2)N
• PubChem CID: 25417135
• Molecular Weight: 225.31

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 Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-thiazol-2-amine - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 225.310 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 225.094 Da
• Monoisotopic Mass: 225.094 Da
• Topological Polar Surface Area: 96.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 249.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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