2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylic acid

C17H11NO4S — CID 46846513

IUPAC2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)O)cs2)c2c1oc1ccccc12
InChIInChI=1S/C17H11NO4S/c1-21-13-7-6-10(16-18-11(8-23-16)17(19)20)14-9-4-2-3-5-12(9)22-15(13)14/h2-8H,1H3,(H,19,20)
InChIKeyNKWVCZQLBYLUGC-UHFFFAOYSA-N
MW325.35 g/mol
LogP4.42
Rot. Bonds3

About 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylic acid

2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 46846513) has the molecular formula C17H11NO4S and a molecular weight of 325.35 g/mol. Its IUPAC name is 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID46846513
Molecular FormulaC17H11NO4S
Molecular Weight325.35 g/mol
Exact Mass325.04
IUPAC Name2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc(-c2nc(C(=O)O)cs2)c2c1oc1ccccc12
InChIInChI=1S/C17H11NO4S/c1-21-13-7-6-10(16-18-11(8-23-16)17(19)20)14-9-4-2-3-5-12(9)22-15(13)14/h2-8H,1H3,(H,19,20)
InChIKeyNKWVCZQLBYLUGC-UHFFFAOYSA-N
XLogP4.42
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylic acid (CID 46846513) is 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylic acid is COc1ccc(-c2nc(C(=O)O)cs2)c2c1oc1ccccc12.
What is the InChIKey of 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is NKWVCZQLBYLUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO4S/c1-21-13-7-6-10(16-18-11(8-23-16)17(19)20)14-9-4-2-3-5-12(9)22-15(13)14/h2-8H,1H3,(H,19,20).
What are the key properties of 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 325.35 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxydibenzofuran-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 46846513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).