2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid

C9H6N2O2S — CID 716091

IUPAC2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccncc2)n1
InChIInChI=1S/C9H6N2O2S/c12-9(13)7-5-14-8(11-7)6-1-3-10-4-2-6/h1-5H,(H,12,13)
InChIKeyCOOQMBOJAAZEIR-UHFFFAOYSA-N
MW206.23 g/mol
LogP1.90
Rot. Bonds2

About 2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid

2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 716091) has the molecular formula C9H6N2O2S and a molecular weight of 206.23 g/mol. Its IUPAC name is 2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid
PubChem CID716091
Molecular FormulaC9H6N2O2S
Molecular Weight206.23 g/mol
Exact Mass206.01
IUPAC Name2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccncc2)n1
InChIInChI=1S/C9H6N2O2S/c12-9(13)7-5-14-8(11-7)6-1-3-10-4-2-6/h1-5H,(H,12,13)
InChIKeyCOOQMBOJAAZEIR-UHFFFAOYSA-N
XLogP1.90
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid (CID 716091) is 2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2ccncc2)n1.
What is the InChIKey of 2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is COOQMBOJAAZEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2S/c12-9(13)7-5-14-8(11-7)6-1-3-10-4-2-6/h1-5H,(H,12,13).
What are the key properties of 2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid?
2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 206.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 716091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).