4-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxylic acid

C11H10N2O2S — CID 39869851

IUPAC4-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(Cc2ccccn2)sc1C(=O)O
InChIInChI=1S/C11H10N2O2S/c1-7-10(11(14)15)16-9(13-7)6-8-4-2-3-5-12-8/h2-5H,6H2,1H3,(H,14,15)
InChIKeyZUYWDWYKNJLVOJ-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.14
Rot. Bonds3

About 4-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxylic acid

4-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 39869851) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID39869851
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name4-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(Cc2ccccn2)sc1C(=O)O
InChIInChI=1S/C11H10N2O2S/c1-7-10(11(14)15)16-9(13-7)6-8-4-2-3-5-12-8/h2-5H,6H2,1H3,(H,14,15)
InChIKeyZUYWDWYKNJLVOJ-UHFFFAOYSA-N
XLogP2.14
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxylic acid (CID 39869851) is 4-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxylic acid is Cc1nc(Cc2ccccn2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZUYWDWYKNJLVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-7-10(11(14)15)16-9(13-7)6-8-4-2-3-5-12-8/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 4-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxylic acid?
4-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 39869851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).