(Z)-2-(2-((tert-Butoxycarbonyl)amino)thiazol-4-yl)pent-2-enoic acid - ≥95% , CAS No.86978-24-7

CAS: 86978-24-7 Cat. No.: Z195442 Molecular Weight: 298.36 EC Number: 430-100-3 PubChem CID: 10334852

GRADE & PURITY ≥95%

Synonyms

DS-1869 | (Z)-2-(2-((tert-Butoxycarbonyl)amino)-thiazol-4-yl)pent-2-enoic acid | (Z)-2-(2-((tert-Butoxycarbonyl)amino)thiazol-4-yl)pent-2-enoic acid | eatb | (2Z)-2-(2-{[(tert-butoxy)carbonyl]amino}-1,3-thiazol-4-yl)pent-2-enoic acid | SCHEMBL4755227 | AK

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

DS-1869 | (Z)-2-(2-((tert-Butoxycarbonyl)amino)-thiazol-4-yl)pent-2-enoic acid | (Z)-2-(2-((tert-Butoxycarbonyl)amino)thiazol-4-yl)pent-2-enoic acid | eatb | (2Z)-2-(2-{[(tert-butoxy)carbonyl]amino}-1, 3-thiazol-4-yl)pent-2-enoic acid | SCHEMBL4755227 | AK

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488196634
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196634
• Canonical Smiles: CCC=C(C1=CSC(=N1)NC(=O)OC(C)(C)C)C(=O)O
• IUPAC Name: (Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]pent-2-enoic acid
• InChIKey: XIXNSLABECPEMI-VURMDHGXSA-N
• INCHI: 1S/C13H18N2O4S/c1-5-6-8(10(16)17)9-7-20-11(14-9)15-12(18)19-13(2,3)4/h6-7H,5H2,1-4H3,(H,16,17)(H,14,15,18)/b8-6-
• Isomeric SMILES: CC/C=C(/C1=CSC(=N1)NC(=O)OC(C)(C)C)\C(=O)O
• PubChem CID: 10334852
• Molecular Weight: 298.36

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: 2,4-disubstituted thiazoles
• Alternative Parents: Heteroaromatic compounds Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-thiazole - Heteroaromatic compound - Carbamic acid ester - Azacycle - Monocarboxylic acid or derivatives - 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 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
• 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: 298.360 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 298.099 Da
• Monoisotopic Mass: 298.099 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 404.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1