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

C13H14N2O3S — CID 82177422

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 Name: 4-methyl-2-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1,3-thiazole-5-carboxylic acid
• PubChem CID: 82177422
• Molecular Formula: C13H14N2O3S
• Molecular Weight: 278.33 g/mol
• Exact Mass: 278.07
• IUPAC Name: 4-methyl-2-[2-(2-methyl-6-oxo-1-pyridinyl)ethyl]-1,3-thiazole-5-carboxylic acid
• SMILES: Cc1nc(CCn2c(C)cccc2=O)sc1C(=O)O
• InChI: 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)
• InChIKey: JXZLHAWXFZEBQY-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 72.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	278.33
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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).