5-Bromothiazol-2-amine - ≥98% , CAS No.3034-22-8

CAS: 3034-22-8 Cat. No.: A123647 Molecular Weight: 179.04 EC Number: 819-500-2

GRADE & PURITY ≥98%

Synonyms

5-bromo-2-aminothiazole | SCHEMBL344676 | AC-907/25004245 | 2-Amino-5- bromothiazole | 2-amino-5 -bromothiazole | 2-Thiazolamine, 5-bromo- | J-640438 | 5-bromo-2-Thiazolamine | A13655 | 5-Bromo-1,3-thiazol-2-amine # | FT-0611153 | 5-Bromo-thiazol-2-ylamin

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

5-bromo-2-aminothiazole | SCHEMBL344676 | AC-907/25004245 | 2-Amino-5- bromothiazole | 2-amino-5 -bromothiazole | 2-Thiazolamine, 5-bromo- | J-640438 | 5-bromo-2-Thiazolamine | A13655 | 5-Bromo-1, 3-thiazol-2-amine # | FT-0611153 | 5-Bromo-thiazol-2-ylamin

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=C(SC(=N1)N)Br
• IUPAC Name: 5-bromo-1,3-thiazol-2-amine
• InChIKey: ARHCLXWELPFVFQ-UHFFFAOYSA-N
• INCHI: 1S/C3H3BrN2S/c4-2-1-6-3(5)7-2/h1H,(H2,5,6)
• Isomeric SMILES: C1=C(SC(=N1)N)Br
• WGK Germany: 3
• Molecular Weight: 179.04
• Reaxy-Rn: 112073
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112073&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-disubstituted thiazoles
• Alternative Parents: Aryl bromides 2-amino-1,3-thiazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted 1,3-thiazole - 1,3-thiazol-2-amine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 and 5 only.
• 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

Associated Targets(non-human)

ddlB D-alanylalanine synthetase (66 Activities)

Discover Target: ddlB

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

murA UDP-N-acetylglucosamine 1-carboxyvinyltransferase (389 Activities)

Discover Target: murA

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 95-99°C
• Molecular Weight: 179.040 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 177.92 Da
• Monoisotopic Mass: 177.92 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 70.000
• 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