2-(5-carboxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid

C10H6N2O4S — CID 83308160

IUPAC2-(5-carboxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1cncc(-c2nc(C(=O)O)cs2)c1
InChIInChI=1S/C10H6N2O4S/c13-9(14)6-1-5(2-11-3-6)8-12-7(4-17-8)10(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyIIIPUPNPKQMXHS-UHFFFAOYSA-N
MW250.24 g/mol
LogP1.60
Rot. Bonds3

About 2-(5-carboxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid

2-(5-carboxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 83308160) has the molecular formula C10H6N2O4S and a molecular weight of 250.24 g/mol. Its IUPAC name is 2-(5-carboxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-carboxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
PubChem CID83308160
Molecular FormulaC10H6N2O4S
Molecular Weight250.24 g/mol
Exact Mass250.00
IUPAC Name2-(5-carboxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1cncc(-c2nc(C(=O)O)cs2)c1
InChIInChI=1S/C10H6N2O4S/c13-9(14)6-1-5(2-11-3-6)8-12-7(4-17-8)10(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyIIIPUPNPKQMXHS-UHFFFAOYSA-N
XLogP1.60
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 87450920
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylic acid
CID 81147215
2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140162
5-(1,3-thiazol-4-yl)pyridine-3-carboxylic acid
CID 127018519
5-(3-chlorothiophen-2-yl)pyridine-3-carboxylic acid
CID 107360441
2-[4-(pyridine-3-carbonylamino)phenyl]-1,3-thiazole-4-carboxylic acid
CID 39163969
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
2-(3H-benzimidazol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 82497800
5-(3-methylthiophen-2-yl)pyridine-3-carboxylic acid
CID 53445774
2-(4-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid
CID 79979819

Frequently Asked Questions

What is the IUPAC name of 2-(5-carboxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(5-carboxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid (CID 83308160) is 2-(5-carboxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(5-carboxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(5-carboxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1cncc(-c2nc(C(=O)O)cs2)c1.
What is the InChIKey of 2-(5-carboxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is IIIPUPNPKQMXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O4S/c13-9(14)6-1-5(2-11-3-6)8-12-7(4-17-8)10(15)16/h1-4H,(H,13,14)(H,15,16).
What are the key properties of 2-(5-carboxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid?
2-(5-carboxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 250.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carboxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 83308160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).