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

C15H11F2NO4S — CID 163380158

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

2-(difluoromethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxylic acid (PubChem CID 163380158) has the molecular formula C15H11F2NO4S and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxylic acid.

Molecular Properties

• Compound Name: 2-(difluoromethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxylic acid
• PubChem CID: 163380158
• Molecular Formula: C15H11F2NO4S
• Molecular Weight: 339.32 g/mol
• Exact Mass: 339.04
• IUPAC Name: 2-(difluoromethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxylic acid
• SMILES: Cc1ncsc1COc1ccc2oc(C(F)F)c(C(=O)O)c2c1
• InChI: InChI=1S/C15H11F2NO4S/c1-7-11(23-6-18-7)5-21-8-2-3-10-9(4-8)12(15(19)20)13(22-10)14(16)17/h2-4,6,14H,5H2,1H3,(H,19,20)
• InChIKey: QYXSPXIASFGXII-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 72.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.32
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(difluoromethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxylic acid (CID 163380158) is 2-(difluoromethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxylic acid.

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

The canonical SMILES for 2-(difluoromethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxylic acid is Cc1ncsc1COc1ccc2oc(C(F)F)c(C(=O)O)c2c1.

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

The InChIKey is QYXSPXIASFGXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO4S/c1-7-11(23-6-18-7)5-21-8-2-3-10-9(4-8)12(15(19)20)13(22-10)14(16)17/h2-4,6,14H,5H2,1H3,(H,19,20).

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

2-(difluoromethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxylic acid has a molecular weight of 339.32 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(difluoromethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 163380158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).