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

C15H11F2NO4S — CID 163380158

IUPAC2-(difluoromethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxylic acid
SMILESCc1ncsc1COc1ccc2oc(C(F)F)c(C(=O)O)c2c1
InChIInChI=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)
InChIKeyQYXSPXIASFGXII-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.41
Rot. Bonds5

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 Name2-(difluoromethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxylic acid
PubChem CID163380158
Molecular FormulaC15H11F2NO4S
Molecular Weight339.32 g/mol
Exact Mass339.04
IUPAC Name2-(difluoromethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxylic acid
SMILESCc1ncsc1COc1ccc2oc(C(F)F)c(C(=O)O)c2c1
InChIInChI=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)
InChIKeyQYXSPXIASFGXII-UHFFFAOYSA-N
XLogP4.41
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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).