4-methyl-2-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1,3-thiazole-5-carboxylic acid

C13H14N2O3S — CID 82177422

IUPAC4-methyl-2-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CCn2c(C)cccc2=O)sc1C(=O)O
InChIInChI=1S/C13H14N2O3S/c1-8-4-3-5-11(16)15(8)7-6-10-14-9(2)12(19-10)13(17)18/h3-5H,6-7H2,1-2H3,(H,17,18)
InChIKeyJXZLHAWXFZEBQY-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.86
Rot. Bonds4

About 4-methyl-2-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 82177422) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-methyl-2-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID82177422
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name4-methyl-2-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(CCn2c(C)cccc2=O)sc1C(=O)O
InChIInChI=1S/C13H14N2O3S/c1-8-4-3-5-11(16)15(8)7-6-10-14-9(2)12(19-10)13(17)18/h3-5H,6-7H2,1-2H3,(H,17,18)
InChIKeyJXZLHAWXFZEBQY-UHFFFAOYSA-N
XLogP1.86
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1,3-thiazole-5-carboxylic acid (CID 82177422) is 4-methyl-2-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1,3-thiazole-5-carboxylic acid is Cc1nc(CCn2c(C)cccc2=O)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is JXZLHAWXFZEBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-8-4-3-5-11(16)15(8)7-6-10-14-9(2)12(19-10)13(17)18/h3-5H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-2-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82177422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).