5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid

C13H8N2O3S — CID 63355636

IUPAC5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(-c2csc(-c3cccnc3)n2)c1
InChIInChI=1S/C13H8N2O3S/c16-13(17)9-4-11(18-6-9)10-7-19-12(15-10)8-2-1-3-14-5-8/h1-7H,(H,16,17)
InChIKeyOKUNGLCZEYFPIR-UHFFFAOYSA-N
MW272.29 g/mol
LogP3.16
Rot. Bonds3

About 5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid

5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid (PubChem CID 63355636) has the molecular formula C13H8N2O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is 5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid
PubChem CID63355636
Molecular FormulaC13H8N2O3S
Molecular Weight272.29 g/mol
Exact Mass272.03
IUPAC Name5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(-c2csc(-c3cccnc3)n2)c1
InChIInChI=1S/C13H8N2O3S/c16-13(17)9-4-11(18-6-9)10-7-19-12(15-10)8-2-1-3-14-5-8/h1-7H,(H,16,17)
InChIKeyOKUNGLCZEYFPIR-UHFFFAOYSA-N
XLogP3.16
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid?
The IUPAC name of 5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid (CID 63355636) is 5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid?
The canonical SMILES for 5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid is O=C(O)c1coc(-c2csc(-c3cccnc3)n2)c1.
What is the InChIKey of 5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid?
The InChIKey is OKUNGLCZEYFPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3S/c16-13(17)9-4-11(18-6-9)10-7-19-12(15-10)8-2-1-3-14-5-8/h1-7H,(H,16,17).
What are the key properties of 5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid?
5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid has a molecular weight of 272.29 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyridin-3-yl-1,3-thiazol-4-yl)furan-3-carboxylic acid is sourced from PubChem (CID 63355636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).