6-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid

C13H9N3O3S2 — CID 61305044

IUPAC6-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(SCc2noc(-c3ccsc3)n2)nc1
InChIInChI=1S/C13H9N3O3S2/c17-13(18)8-1-2-11(14-5-8)21-7-10-15-12(19-16-10)9-3-4-20-6-9/h1-6H,7H2,(H,17,18)
InChIKeyVZILOQHZFAGLFP-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.18
Rot. Bonds5

About 6-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid

6-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid (PubChem CID 61305044) has the molecular formula C13H9N3O3S2 and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid
PubChem CID61305044
Molecular FormulaC13H9N3O3S2
Molecular Weight319.37 g/mol
Exact Mass319.01
IUPAC Name6-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(SCc2noc(-c3ccsc3)n2)nc1
InChIInChI=1S/C13H9N3O3S2/c17-13(18)8-1-2-11(14-5-8)21-7-10-15-12(19-16-10)9-3-4-20-6-9/h1-6H,7H2,(H,17,18)
InChIKeyVZILOQHZFAGLFP-UHFFFAOYSA-N
XLogP3.18
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid (CID 61305044) is 6-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(SCc2noc(-c3ccsc3)n2)nc1.
What is the InChIKey of 6-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid?
The InChIKey is VZILOQHZFAGLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3S2/c17-13(18)8-1-2-11(14-5-8)21-7-10-15-12(19-16-10)9-3-4-20-6-9/h1-6H,7H2,(H,17,18).
What are the key properties of 6-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid?
6-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid has a molecular weight of 319.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 61305044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).