5-(1,3-thiazol-4-yl)pyridine-3-carboxylic acid

C9H6N2O2S — CID 127018519

IUPAC5-(1,3-thiazol-4-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cscn2)c1
InChIInChI=1S/C9H6N2O2S/c12-9(13)7-1-6(2-10-3-7)8-4-14-5-11-8/h1-5H,(H,12,13)
InChIKeyVBBYISZWSBLUDI-UHFFFAOYSA-N
MW206.23 g/mol
LogP1.90
Rot. Bonds2

About 5-(1,3-thiazol-4-yl)pyridine-3-carboxylic acid

5-(1,3-thiazol-4-yl)pyridine-3-carboxylic acid (PubChem CID 127018519) has the molecular formula C9H6N2O2S and a molecular weight of 206.23 g/mol. Its IUPAC name is 5-(1,3-thiazol-4-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-thiazol-4-yl)pyridine-3-carboxylic acid
PubChem CID127018519
Molecular FormulaC9H6N2O2S
Molecular Weight206.23 g/mol
Exact Mass206.01
IUPAC Name5-(1,3-thiazol-4-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cscn2)c1
InChIInChI=1S/C9H6N2O2S/c12-9(13)7-1-6(2-10-3-7)8-4-14-5-11-8/h1-5H,(H,12,13)
InChIKeyVBBYISZWSBLUDI-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 5-(1,3-thiazol-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(1,3-thiazol-4-yl)pyridine-3-carboxylic acid (CID 127018519) is 5-(1,3-thiazol-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(1,3-thiazol-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(1,3-thiazol-4-yl)pyridine-3-carboxylic acid is O=C(O)c1cncc(-c2cscn2)c1.
What is the InChIKey of 5-(1,3-thiazol-4-yl)pyridine-3-carboxylic acid?
The InChIKey is VBBYISZWSBLUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2S/c12-9(13)7-1-6(2-10-3-7)8-4-14-5-11-8/h1-5H,(H,12,13).
What are the key properties of 5-(1,3-thiazol-4-yl)pyridine-3-carboxylic acid?
5-(1,3-thiazol-4-yl)pyridine-3-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 5-(1,3-thiazol-4-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 127018519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).