5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]furan-2-carboxylic acid

C11H11NO4S — CID 55050518

IUPAC5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]furan-2-carboxylic acid
SMILESCc1ncsc1CCOc1ccc(C(=O)O)o1
InChIInChI=1S/C11H11NO4S/c1-7-9(17-6-12-7)4-5-15-10-3-2-8(16-10)11(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyIQDNVIZOPOEBBX-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.36
Rot. Bonds5

About 5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]furan-2-carboxylic acid

5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]furan-2-carboxylic acid (PubChem CID 55050518) has the molecular formula C11H11NO4S and a molecular weight of 253.28 g/mol. Its IUPAC name is 5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]furan-2-carboxylic acid
PubChem CID55050518
Molecular FormulaC11H11NO4S
Molecular Weight253.28 g/mol
Exact Mass253.04
IUPAC Name5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]furan-2-carboxylic acid
SMILESCc1ncsc1CCOc1ccc(C(=O)O)o1
InChIInChI=1S/C11H11NO4S/c1-7-9(17-6-12-7)4-5-15-10-3-2-8(16-10)11(13)14/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKeyIQDNVIZOPOEBBX-UHFFFAOYSA-N
XLogP2.36
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]furan-2-carboxylic acid?
The IUPAC name of 5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]furan-2-carboxylic acid (CID 55050518) is 5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]furan-2-carboxylic acid is Cc1ncsc1CCOc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]furan-2-carboxylic acid?
The InChIKey is IQDNVIZOPOEBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S/c1-7-9(17-6-12-7)4-5-15-10-3-2-8(16-10)11(13)14/h2-3,6H,4-5H2,1H3,(H,13,14).
What are the key properties of 5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]furan-2-carboxylic acid?
5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]furan-2-carboxylic acid has a molecular weight of 253.28 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]furan-2-carboxylic acid is sourced from PubChem (CID 55050518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).