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

C14H11NO4S — CID 63355768

IUPAC5-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESCCc1ccc(-c2nc(-c3cc(C(=O)O)co3)cs2)o1
InChIInChI=1S/C14H11NO4S/c1-2-9-3-4-11(19-9)13-15-10(7-20-13)12-5-8(6-18-12)14(16)17/h3-7H,2H2,1H3,(H,16,17)
InChIKeyYQGDKADYMZWGLD-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.92
Rot. Bonds4

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

5-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid (PubChem CID 63355768) has the molecular formula C14H11NO4S and a molecular weight of 289.31 g/mol. Its IUPAC name is 5-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
PubChem CID63355768
Molecular FormulaC14H11NO4S
Molecular Weight289.31 g/mol
Exact Mass289.04
IUPAC Name5-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESCCc1ccc(-c2nc(-c3cc(C(=O)O)co3)cs2)o1
InChIInChI=1S/C14H11NO4S/c1-2-9-3-4-11(19-9)13-15-10(7-20-13)12-5-8(6-18-12)14(16)17/h3-7H,2H2,1H3,(H,16,17)
InChIKeyYQGDKADYMZWGLD-UHFFFAOYSA-N
XLogP3.92
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The IUPAC name of 5-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid (CID 63355768) is 5-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The canonical SMILES for 5-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid is CCc1ccc(-c2nc(-c3cc(C(=O)O)co3)cs2)o1.
What is the InChIKey of 5-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The InChIKey is YQGDKADYMZWGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4S/c1-2-9-3-4-11(19-9)13-15-10(7-20-13)12-5-8(6-18-12)14(16)17/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of 5-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
5-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid has a molecular weight of 289.31 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]furan-3-carboxylic acid is sourced from PubChem (CID 63355768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).