N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide

C12H11N3O3S — CID 8005393

IUPACN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(=O)[nH]c2)nc1C
InChIInChI=1S/C12H11N3O3S/c1-6-10(7(2)16)19-12(14-6)15-11(18)8-3-4-9(17)13-5-8/h3-5H,1-2H3,(H,13,17)(H,14,15,18)
InChIKeyPPQJLSVPKTUBCS-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.59
Rot. Bonds3

About N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 8005393) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID8005393
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC NameN-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(=O)c1sc(NC(=O)c2ccc(=O)[nH]c2)nc1C
InChIInChI=1S/C12H11N3O3S/c1-6-10(7(2)16)19-12(14-6)15-11(18)8-3-4-9(17)13-5-8/h3-5H,1-2H3,(H,13,17)(H,14,15,18)
InChIKeyPPQJLSVPKTUBCS-UHFFFAOYSA-N
XLogP1.59
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide (CID 8005393) is N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide is CC(=O)c1sc(NC(=O)c2ccc(=O)[nH]c2)nc1C.
What is the InChIKey of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PPQJLSVPKTUBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-6-10(7(2)16)19-12(14-6)15-11(18)8-3-4-9(17)13-5-8/h3-5H,1-2H3,(H,13,17)(H,14,15,18).
What are the key properties of N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 277.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 8005393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).