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

C13H7ClN2O3S — CID 103442924

IUPAC5-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(-c2csc(-c3ncccc3Cl)n2)c1
InChIInChI=1S/C13H7ClN2O3S/c14-8-2-1-3-15-11(8)12-16-9(6-20-12)10-4-7(5-19-10)13(17)18/h1-6H,(H,17,18)
InChIKeyIHIKQTKXROLUPO-UHFFFAOYSA-N
MW306.73 g/mol
LogP3.82
Rot. Bonds3

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

5-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid (PubChem CID 103442924) has the molecular formula C13H7ClN2O3S and a molecular weight of 306.73 g/mol. Its IUPAC name is 5-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
PubChem CID103442924
Molecular FormulaC13H7ClN2O3S
Molecular Weight306.73 g/mol
Exact Mass305.99
IUPAC Name5-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(-c2csc(-c3ncccc3Cl)n2)c1
InChIInChI=1S/C13H7ClN2O3S/c14-8-2-1-3-15-11(8)12-16-9(6-20-12)10-4-7(5-19-10)13(17)18/h1-6H,(H,17,18)
InChIKeyIHIKQTKXROLUPO-UHFFFAOYSA-N
XLogP3.82
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The IUPAC name of 5-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid (CID 103442924) is 5-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The canonical SMILES for 5-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid is O=C(O)c1coc(-c2csc(-c3ncccc3Cl)n2)c1.
What is the InChIKey of 5-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
The InChIKey is IHIKQTKXROLUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN2O3S/c14-8-2-1-3-15-11(8)12-16-9(6-20-12)10-4-7(5-19-10)13(17)18/h1-6H,(H,17,18).
What are the key properties of 5-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid?
5-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid has a molecular weight of 306.73 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-chloro-2-pyridinyl)-1,3-thiazol-4-yl]furan-3-carboxylic acid is sourced from PubChem (CID 103442924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).