6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide

C10H9N3O2S — CID 60972270

IUPAC6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCc1nccs1)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H9N3O2S/c14-8-2-1-7(5-12-8)10(15)13-6-9-11-3-4-16-9/h1-5H,6H2,(H,12,14)(H,13,15)
InChIKeyUSUKLTCTRNAIHY-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.76
Rot. Bonds3

About 6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide

6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 60972270) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID60972270
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCc1nccs1)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H9N3O2S/c14-8-2-1-7(5-12-8)10(15)13-6-9-11-3-4-16-9/h1-5H,6H2,(H,12,14)(H,13,15)
InChIKeyUSUKLTCTRNAIHY-UHFFFAOYSA-N
XLogP0.76
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide (CID 60972270) is 6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide is O=C(NCc1nccs1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is USUKLTCTRNAIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-8-2-1-7(5-12-8)10(15)13-6-9-11-3-4-16-9/h1-5H,6H2,(H,12,14)(H,13,15).
What are the key properties of 6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide?
6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60972270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).