4,6-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxopyridine-3-carboxylic acid

C14H16N2O3S — CID 62861060

IUPAC4,6-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(C)n(CCc2scnc2C)c(=O)c1C(=O)O
InChIInChI=1S/C14H16N2O3S/c1-8-6-9(2)16(13(17)12(8)14(18)19)5-4-11-10(3)15-7-20-11/h6-7H,4-5H2,1-3H3,(H,18,19)
InChIKeyIGAOUPJMWRCQTF-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.17
Rot. Bonds4

About 4,6-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxopyridine-3-carboxylic acid

4,6-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 62861060) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4,6-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxopyridine-3-carboxylic acid
PubChem CID62861060
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name4,6-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(C)n(CCc2scnc2C)c(=O)c1C(=O)O
InChIInChI=1S/C14H16N2O3S/c1-8-6-9(2)16(13(17)12(8)14(18)19)5-4-11-10(3)15-7-20-11/h6-7H,4-5H2,1-3H3,(H,18,19)
InChIKeyIGAOUPJMWRCQTF-UHFFFAOYSA-N
XLogP2.17
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 4,6-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxopyridine-3-carboxylic acid (CID 62861060) is 4,6-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxopyridine-3-carboxylic acid is Cc1cc(C)n(CCc2scnc2C)c(=O)c1C(=O)O.
What is the InChIKey of 4,6-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is IGAOUPJMWRCQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-8-6-9(2)16(13(17)12(8)14(18)19)5-4-11-10(3)15-7-20-11/h6-7H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 4,6-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxopyridine-3-carboxylic acid?
4,6-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 62861060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).