4-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide

C11H11N3O2S — CID 103337405

IUPAC4-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1nccs1)c1c[nH]ccc1=O
InChIInChI=1S/C11H11N3O2S/c15-9-1-3-12-7-8(9)11(16)14-4-2-10-13-5-6-17-10/h1,3,5-7H,2,4H2,(H,12,15)(H,14,16)
InChIKeyQAIZIJLRRYSDCJ-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.80
Rot. Bonds4

About 4-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide

4-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 103337405) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 4-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
PubChem CID103337405
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name4-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1nccs1)c1c[nH]ccc1=O
InChIInChI=1S/C11H11N3O2S/c15-9-1-3-12-7-8(9)11(16)14-4-2-10-13-5-6-17-10/h1,3,5-7H,2,4H2,(H,12,15)(H,14,16)
InChIKeyQAIZIJLRRYSDCJ-UHFFFAOYSA-N
XLogP0.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 4-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide (CID 103337405) is 4-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide is O=C(NCCc1nccs1)c1c[nH]ccc1=O.
What is the InChIKey of 4-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is QAIZIJLRRYSDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c15-9-1-3-12-7-8(9)11(16)14-4-2-10-13-5-6-17-10/h1,3,5-7H,2,4H2,(H,12,15)(H,14,16).
What are the key properties of 4-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
4-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).