5-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid

C16H15NO4S — CID 163380571

About 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid

5-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid (PubChem CID 163380571) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
• PubChem CID: 163380571
• Molecular Formula: C16H15NO4S
• Molecular Weight: 317.37 g/mol
• Exact Mass: 317.07
• IUPAC Name: 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
• SMILES: Cc1nc(C)c(COc2ccc3oc(C)c(C(=O)O)c3c2)s1
• InChI: InChI=1S/C16H15NO4S/c1-8-14(22-10(3)17-8)7-20-11-4-5-13-12(6-11)15(16(18)19)9(2)21-13/h4-6H,7H2,1-3H3,(H,18,19)
• InChIKey: IHGPMTRMXQZNDF-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 72.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.37
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid (CID 163380571) is 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid.

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

The canonical SMILES for 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid is Cc1nc(C)c(COc2ccc3oc(C)c(C(=O)O)c3c2)s1.

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

The InChIKey is IHGPMTRMXQZNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S/c1-8-14(22-10(3)17-8)7-20-11-4-5-13-12(6-11)15(16(18)19)9(2)21-13/h4-6H,7H2,1-3H3,(H,18,19).

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

5-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid has a molecular weight of 317.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,4-dimethyl-1,3-thiazol-5-yl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 163380571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).