6-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxylic acid

C11H10N2O3S — CID 55173678

IUPAC6-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(CCc2nccs2)c1
InChIInChI=1S/C11H10N2O3S/c14-10-2-1-8(11(15)16)7-13(10)5-3-9-12-4-6-17-9/h1-2,4,6-7H,3,5H2,(H,15,16)
InChIKeyOJMBEFXZJDDOOK-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.25
Rot. Bonds4

About 6-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxylic acid

6-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxylic acid (PubChem CID 55173678) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 6-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxylic acid
PubChem CID55173678
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name6-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(CCc2nccs2)c1
InChIInChI=1S/C11H10N2O3S/c14-10-2-1-8(11(15)16)7-13(10)5-3-9-12-4-6-17-9/h1-2,4,6-7H,3,5H2,(H,15,16)
InChIKeyOJMBEFXZJDDOOK-UHFFFAOYSA-N
XLogP1.25
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxylic acid (CID 55173678) is 6-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(CCc2nccs2)c1.
What is the InChIKey of 6-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxylic acid?
The InChIKey is OJMBEFXZJDDOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c14-10-2-1-8(11(15)16)7-13(10)5-3-9-12-4-6-17-9/h1-2,4,6-7H,3,5H2,(H,15,16).
What are the key properties of 6-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxylic acid?
6-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 55173678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).