2-(tert-Butoxycarbonylamino)thiazole-5-carboxylic Acid - ≥98%(HPLC)(T) , CAS No.302964-02-9

CAS: 302964-02-9 Cat. No.: T162382 Molecular Weight: 244.27 EC Number: 675-956-0 PubChem CID: 22271442

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

FT-0615875 | 2-(n-boc)-aminothiazole-5-carboxylic acid | BBL101020 | AKOS005073075 | 2-N-Boc-amino-thiazole-5-carboxylic acid, AldrichCPR | 5-22-02-00067 (Beilstein Handbook Reference) | B4552 | Z1505691107 | 2-amino-1,3-thiazole-5-carboxylic acid, n-boc

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

FT-0615875 | 2-(n-boc)-aminothiazole-5-carboxylic acid | BBL101020 | AKOS005073075 | 2-N-Boc-amino-thiazole-5-carboxylic acid, AldrichCPR | 5-22-02-00067 (Beilstein Handbook Reference) | B4552 | Z1505691107 | 2-amino-1, 3-thiazole-5-carboxylic acid, n-boc

Specifications & Purity

≥98%(HPLC)(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)(T)

Names and Identifiers

• Pubchem Sid: 488200095
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200095
• Canonical Smiles: CC(C)(C)OC(=O)NC1=NC=C(S1)C(=O)O
• IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-5-carboxylic acid
• InChIKey: QNFLEDLPOVONCN-UHFFFAOYSA-N
• INCHI: 1S/C9H12N2O4S/c1-9(2,3)15-8(14)11-7-10-4-5(16-7)6(12)13/h4H,1-3H3,(H,12,13)(H,10,11,14)
• Isomeric SMILES: CC(C)(C)OC(=O)NC1=NC=C(S1)C(=O)O
• PubChem CID: 22271442
• Molecular Weight: 244.27

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: Thiazolecarboxylic acids and derivatives
• Alternative Parents: 2,5-disubstituted thiazoles Heteroaromatic compounds Carbamate esters Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiazolecarboxylic acid or derivatives - 2,5-disubstituted 1,3-thiazole - Heteroaromatic compound - Carbamic acid ester - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiazolecarboxylic acids and derivatives. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid group (or a derivative thereof).
• 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: Air Sensitive
• Molecular Weight: 244.270 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 244.052 Da
• Monoisotopic Mass: 244.052 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 290.000
• 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