Ethyl 2-amino-1,3-thiazole-4-carboxylate

• CAS: 5398-36-7
• Catalog Number: ACM5398367
• Category: Other Products
• Molecular Weight: 172.2
• Molecular Formula: C₆H₈N₂O₂S
• Synonyms: 2-Aminothiazole-4-ethylformate;TOSLAB 14869;TIMTEC-BB SBB000178;ETHYL 2-AMINO-4-THIAZOLECARBOXYLATE;ETHYL 2-AMINO-1,3-THIAZOLE-4-CARBOXYLATE;ETHYL 2-AMINOTHIAZOLE-4-CARBOXYLATE;BUTTPARK 33\04-57;AKOS BB-9218
• Melting Point: 177°C
• Hazard Statements: Xi,Xn
• Safety Description: 24/25-36/37/39-26-22
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07

Custom Q&A

What is the molecular formula of Ethyl 2-amino-1,3-thiazole-4-carboxylate?

The molecular formula is C6H8N2O2S.

What is the IUPAC name of Ethyl 2-amino-1,3-thiazole-4-carboxylate?

The IUPAC name is ethyl 2-amino-1,3-thiazole-4-carboxylate.

What is the InChI of Ethyl 2-amino-1,3-thiazole-4-carboxylate?

The InChI is InChI=1S/C6H8N2O2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3,(H2,7,8).

What is the InChIKey of Ethyl 2-amino-1,3-thiazole-4-carboxylate?

The InChIKey is XHFUVBWCMLLKOZ-UHFFFAOYSA-N.

What is the Canonical SMILES of Ethyl 2-amino-1,3-thiazole-4-carboxylate?

The Canonical SMILES is CCOC(=O)C1=CSC(=N1)N.

What is the molecular weight of Ethyl 2-amino-1,3-thiazole-4-carboxylate?

The molecular weight is 172.21 g/mol.

What is the CAS number of Ethyl 2-amino-1,3-thiazole-4-carboxylate?

The CAS number is 5398-36-7.

What is the EC number of Ethyl 2-amino-1,3-thiazole-4-carboxylate?

The EC number is 611-074-4.

What is the ChEMBL ID of Ethyl 2-amino-1,3-thiazole-4-carboxylate?

The ChEMBL ID is CHEMBL1620353.

What is the topological polar surface area of Ethyl 2-amino-1,3-thiazole-4-carboxylate?

The topological polar surface area is 93.42.

Synthetic Use

Downstream Synthesis Route 1

• 5398-36-7

• 51307-43-8

Reference: [1] Journal of the American Chemical Society, 1950, vol. 72, p. 5221,5224
[2] Patent: WO2011/14795, 2011, A2, . Location in patent: Page/Page column 92

Downstream Synthesis Route 2

• 5398-36-7

• 14527-43-6

Reference: [1] Journal of Medicinal Chemistry, 2002, vol. 45, # 2, p. 533 - 536
[2] Journal of Medicinal Chemistry, 2002, vol. 45, # 2, p. 533 - 536

Downstream Synthesis Route 3

• 5398-36-7
• 124-41-4

• 118452-04-3

Reference: [1] Patent: US2006/63814, 2006, A1, . Location in patent: Page/Page column 28

Downstream Synthesis Route 4

• 5398-36-7
• 75-36-5

• 92819-12-0

Reference: [1]Current Patent Assignee: SHANDONG UNIVERSITY - CN104016944, 2016, B
Location in patent: Paragraph 0014-0015; 0042-0043
[2]Ueda et al.
[Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1959, vol. 79, p. 920,923][Chem.Abstr., 1959, p. 21888]
[3]Wang, Wang; Xiong, Liangliang; Li, Yutong; Song, Zhuorui; Sun, Dejuan; Li, Hua; Chen, Lixia
[Bioorganic and Medicinal Chemistry, 2022, vol. 56]

Downstream Synthesis Route 5

• 5398-36-7

• 51307-43-8

Reference: [1]Conover; Tarbell
[Journal of the American Chemical Society, 1950, vol. 72, p. 5221,5224]
[2]Current Patent Assignee: IRM LLC - WO2011/14795, 2011, A2
Location in patent: Page/Page column 92

* For details of the synthesis route, please refer to the original source to ensure accuracy.