6-methyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide

C11H11N3O2S — CID 103696390

IUPAC6-methyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2nccs2)c[nH]1
InChIInChI=1S/C11H11N3O2S/c1-7-4-9(15)8(5-13-7)11(16)14-6-10-12-2-3-17-10/h2-5H,6H2,1H3,(H,13,15)(H,14,16)
InChIKeyDRLBFMXKMHVZLG-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.07
Rot. Bonds3

About 6-methyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide

6-methyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 103696390) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID103696390
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC Name6-methyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2nccs2)c[nH]1
InChIInChI=1S/C11H11N3O2S/c1-7-4-9(15)8(5-13-7)11(16)14-6-10-12-2-3-17-10/h2-5H,6H2,1H3,(H,13,15)(H,14,16)
InChIKeyDRLBFMXKMHVZLG-UHFFFAOYSA-N
XLogP1.07
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide (CID 103696390) is 6-methyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCc2nccs2)c[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is DRLBFMXKMHVZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-4-9(15)8(5-13-7)11(16)14-6-10-12-2-3-17-10/h2-5H,6H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 6-methyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 249.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-(1,3-thiazol-2-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103696390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).