2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxylic acid

C15H15NO4S — CID 43322539

About 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxylic acid

2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 43322539) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxylic acid
• PubChem CID: 43322539
• Molecular Formula: C15H15NO4S
• Molecular Weight: 305.36 g/mol
• Exact Mass: 305.07
• IUPAC Name: 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxylic acid
• SMILES: CCOc1cc2c(cc1-c1nc(C(=O)O)cs1)OC(C)C2
• InChI: InChI=1S/C15H15NO4S/c1-3-19-13-5-9-4-8(2)20-12(9)6-10(13)14-16-11(7-21-14)15(17)18/h5-8H,3-4H2,1-2H3,(H,17,18)
• InChIKey: MCVIVFNRINHCDZ-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 68.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.36
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxylic acid?

The IUPAC name of 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxylic acid (CID 43322539) is 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxylic acid.

What is the SMILES notation for 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxylic acid?

The canonical SMILES for 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxylic acid is CCOc1cc2c(cc1-c1nc(C(=O)O)cs1)OC(C)C2.

What is the InChIKey of 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxylic acid?

The InChIKey is MCVIVFNRINHCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-3-19-13-5-9-4-8(2)20-12(9)6-10(13)14-16-11(7-21-14)15(17)18/h5-8H,3-4H2,1-2H3,(H,17,18).

What are the key properties of 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxylic acid?

2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 43322539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).