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

C11H11N3O2S — CID 136523952

IUPAC1-methyl-2-oxo-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCc2cscn2)c1=O
InChIInChI=1S/C11H11N3O2S/c1-14-4-2-3-9(11(14)16)10(15)12-5-8-6-17-7-13-8/h2-4,6-7H,5H2,1H3,(H,12,15)
InChIKeyWSHSEIZGEXLIOT-UHFFFAOYSA-N
MW249.30 g/mol
LogP0.77
Rot. Bonds3

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

1-methyl-2-oxo-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 136523952) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
PubChem CID136523952
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name1-methyl-2-oxo-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCc2cscn2)c1=O
InChIInChI=1S/C11H11N3O2S/c1-14-4-2-3-9(11(14)16)10(15)12-5-8-6-17-7-13-8/h2-4,6-7H,5H2,1H3,(H,12,15)
InChIKeyWSHSEIZGEXLIOT-UHFFFAOYSA-N
XLogP0.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide
CID 110472606
2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346233
1-methyl-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-oxopyridine-3-carboxamide
CID 71797491
1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 122353078
2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346216
1-methyl-2-oxo-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 90569423
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 71808560
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 71797295
2,5-dihydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107723065
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103755664
1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
CID 63831167
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 121196615

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide (CID 136523952) is 1-methyl-2-oxo-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide is Cn1cccc(C(=O)NCc2cscn2)c1=O.
What is the InChIKey of 1-methyl-2-oxo-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is WSHSEIZGEXLIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-14-4-2-3-9(11(14)16)10(15)12-5-8-6-17-7-13-8/h2-4,6-7H,5H2,1H3,(H,12,15).
What are the key properties of 1-methyl-2-oxo-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide?
1-methyl-2-oxo-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 136523952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).