Cas no 885279-72-1 (4-(3-Amino-phenyl)-thiazole-2-carboxylic acid methyl ester)

4-(3-Amino-phenyl)-thiazole-2-carboxylic acid methyl ester is a synthetic organic compound featuring a thiazole core substituted with an aminophenyl group and a methyl ester functionality. This structure makes it a versatile intermediate in medicinal chemistry, particularly for the development of heterocyclic compounds with potential biological activity. The presence of both an amino group and an ester moiety allows for further functionalization, enabling its use in the synthesis of more complex molecules. Its well-defined chemical properties and stability under standard conditions ensure reliable performance in research applications. This compound is primarily utilized in pharmaceutical and agrochemical research for scaffold modification and lead optimization.
4-(3-Amino-phenyl)-thiazole-2-carboxylic acid methyl ester structure
885279-72-1 structure
Product Name:4-(3-Amino-phenyl)-thiazole-2-carboxylic acid methyl ester
CAS No:885279-72-1
MF:C11H10N2O2S
MW:234.274301052094
MDL:MFCD06738749
CID:711679
PubChem ID:53249857
Update Time:2025-05-22

4-(3-Amino-phenyl)-thiazole-2-carboxylic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Thiazolecarboxylicacid, 4-(3-aminophenyl)-, methyl ester
    • 4-(3-Amino-phenyl)-thiazole-2-carboxylic acid methyl ester
    • 4-(3-AMINOPHENYL)THIAZOLE-2-CARBOXYLIC ACID METHYL ESTER,
    • methyl 4-(3-aminophenyl)-1,3-thiazole-2-carboxylate
    • Methyl 4-(3-aminophenyl)thiazole-2-carboxylate
    • Y4520
    • Methyl4-(3-aminophenyl)thiazole-2-carboxylate
    • DB-077816
    • AKOS024260646
    • MFCD06738749
    • AB27804
    • 885279-72-1
    • SCHEMBL22352575
    • DTXSID00693097
    • 4-(3-Aminophenyl)thiazole-2-carboxylic acid methyl ester
    • J-522233
    • MDL: MFCD06738749
    • Inchi: 1S/C11H10N2O2S/c1-15-11(14)10-13-9(6-16-10)7-3-2-4-8(12)5-7/h2-6H,12H2,1H3
    • InChI Key: OAUXBAJKZQHHOH-UHFFFAOYSA-N
    • SMILES: S1C=C(C2=CC=CC(N)=C2)N=C1C(OC)=O

Computed Properties

  • Exact Mass: 234.04600
  • Monoisotopic Mass: 234.046
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 262
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 93.4A^2
  • XLogP3: 2.1

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 441.0±47.0 °C at 760 mmHg
  • Flash Point: 220.5±29.3 °C
  • PSA: 93.45000
  • LogP: 2.76010
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

4-(3-Amino-phenyl)-thiazole-2-carboxylic acid methyl ester Security Information

4-(3-Amino-phenyl)-thiazole-2-carboxylic acid methyl ester Customs Data

  • HS CODE:2934100090
  • Customs Data:

    China Customs Code:

    2934100090

    Overview:

    2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

4-(3-Amino-phenyl)-thiazole-2-carboxylic acid methyl ester Pricemore >>

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