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

C11H11N3O2S — CID 49357013

IUPAC6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1nccs1)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H11N3O2S/c15-9-2-1-8(7-14-9)11(16)13-4-3-10-12-5-6-17-10/h1-2,5-7H,3-4H2,(H,13,16)(H,14,15)
InChIKeyMDMVQEGBSJSTQD-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.80
Rot. Bonds4

About 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide

6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 49357013) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
PubChem CID49357013
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1nccs1)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H11N3O2S/c15-9-2-1-8(7-14-9)11(16)13-4-3-10-12-5-6-17-10/h1-2,5-7H,3-4H2,(H,13,16)(H,14,15)
InChIKeyMDMVQEGBSJSTQD-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 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide (CID 49357013) is 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide is O=C(NCCc1nccs1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is MDMVQEGBSJSTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c15-9-2-1-8(7-14-9)11(16)13-4-3-10-12-5-6-17-10/h1-2,5-7H,3-4H2,(H,13,16)(H,14,15).
What are the key properties of 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide?
6-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 6-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 49357013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).