2-[6-[[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

C23H19NO5S — CID 127033241

About 2-[6-[[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

2-[6-[[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (PubChem CID 127033241) has the molecular formula C23H19NO5S and a molecular weight of 421.47 g/mol. Its IUPAC name is 2-[6-[[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[6-[[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
• PubChem CID: 127033241
• Molecular Formula: C23H19NO5S
• Molecular Weight: 421.47 g/mol
• Exact Mass: 421.10
• IUPAC Name: 2-[6-[[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
• SMILES: Cc1nc(-c2cc3ccccc3o2)sc1COc1ccc2c(c1)OCC2CC(=O)O
• InChI: InChI=1S/C23H19NO5S/c1-13-21(30-23(24-13)20-8-14-4-2-3-5-18(14)29-20)12-27-16-6-7-17-15(9-22(25)26)11-28-19(17)10-16/h2-8,10,15H,9,11-12H2,1H3,(H,25,26)
• InChIKey: CHSJVOXJIQLYFT-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 81.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.47
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?

The IUPAC name of 2-[6-[[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (CID 127033241) is 2-[6-[[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.

What is the SMILES notation for 2-[6-[[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?

The canonical SMILES for 2-[6-[[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is Cc1nc(-c2cc3ccccc3o2)sc1COc1ccc2c(c1)OCC2CC(=O)O.

What is the InChIKey of 2-[6-[[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?

The InChIKey is CHSJVOXJIQLYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO5S/c1-13-21(30-23(24-13)20-8-14-4-2-3-5-18(14)29-20)12-27-16-6-7-17-15(9-22(25)26)11-28-19(17)10-16/h2-8,10,15H,9,11-12H2,1H3,(H,25,26).

What are the key properties of 2-[6-[[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?

2-[6-[[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid has a molecular weight of 421.47 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 127033241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).