Methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate

C₁₁H₁₃N₃O₂S — CID 114556482

About Methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate

Methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 114556482) has the molecular formula C₁₁H₁₃N₃O₂S and a molecular weight of 251.31 g/mol. Its IUPAC name is methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: Methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate
• PubChem CID: 114556482
• Molecular Formula: C₁₁H₁₃N₃O₂S
• Molecular Weight: 251.31 g/mol
• Exact Mass: 251.07
• IUPAC Name: methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate
• SMILES: CCn1nccc1-c1nc(C(=O)OC)c(C)s1
• InChI: InChI=1S/C11H13N3O2S/c1-4-14-8(5-6-12-14)10-13-9(7(2)17-10)11(15)16-3/h5-6H,4H2,1-3H3
• InChIKey: ILNISQSJUYFBJM-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 57.01 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	251.31
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate?

The IUPAC name of Methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate (CID 114556482) is methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate.

What is the SMILES notation for Methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate?

The canonical SMILES for Methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate is CCn1nccc1-c1nc(C(=O)OC)c(C)s1.

What is the InChIKey of Methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate?

The InChIKey is ILNISQSJUYFBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-4-14-8(5-6-12-14)10-13-9(7(2)17-10)11(15)16-3/h5-6H,4H2,1-3H3.

What are the key properties of Methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate?

Methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 251.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 114556482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114556482 — identifiers, structure, computed properties (public domain)

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