5-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]pyridine-3-carboxylic acid

C12H8N4O4S — CID 63850824

IUPAC5-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCc2cc(=O)n3ncsc3n2)c1
InChIInChI=1S/C12H8N4O4S/c17-10-2-8(15-12-16(10)14-6-21-12)5-20-9-1-7(11(18)19)3-13-4-9/h1-4,6H,5H2,(H,18,19)
InChIKeyFZRLOXODWWXYCS-UHFFFAOYSA-N
MW304.29 g/mol
LogP0.82
Rot. Bonds4

About 5-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]pyridine-3-carboxylic acid

5-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]pyridine-3-carboxylic acid (PubChem CID 63850824) has the molecular formula C12H8N4O4S and a molecular weight of 304.29 g/mol. Its IUPAC name is 5-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]pyridine-3-carboxylic acid
PubChem CID63850824
Molecular FormulaC12H8N4O4S
Molecular Weight304.29 g/mol
Exact Mass304.03
IUPAC Name5-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCc2cc(=O)n3ncsc3n2)c1
InChIInChI=1S/C12H8N4O4S/c17-10-2-8(15-12-16(10)14-6-21-12)5-20-9-1-7(11(18)19)3-13-4-9/h1-4,6H,5H2,(H,18,19)
InChIKeyFZRLOXODWWXYCS-UHFFFAOYSA-N
XLogP0.82
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]pyridine-3-carboxylic acid (CID 63850824) is 5-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]pyridine-3-carboxylic acid is O=C(O)c1cncc(OCc2cc(=O)n3ncsc3n2)c1.
What is the InChIKey of 5-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]pyridine-3-carboxylic acid?
The InChIKey is FZRLOXODWWXYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4O4S/c17-10-2-8(15-12-16(10)14-6-21-12)5-20-9-1-7(11(18)19)3-13-4-9/h1-4,6H,5H2,(H,18,19).
What are the key properties of 5-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]pyridine-3-carboxylic acid?
5-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]pyridine-3-carboxylic acid has a molecular weight of 304.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 63850824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).