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

C10H6N2O4S — CID 122554526

IUPAC2-(5-carboxy-2-pyridinyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1ccc(-c2ncc(C(=O)O)s2)nc1
InChIInChI=1S/C10H6N2O4S/c13-9(14)5-1-2-6(11-3-5)8-12-4-7(17-8)10(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyISYUGJYTQIZJHV-UHFFFAOYSA-N
MW250.24 g/mol
LogP1.60
Rot. Bonds3

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

2-(5-carboxy-2-pyridinyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 122554526) has the molecular formula C10H6N2O4S and a molecular weight of 250.24 g/mol. Its IUPAC name is 2-(5-carboxy-2-pyridinyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-carboxy-2-pyridinyl)-1,3-thiazole-5-carboxylic acid
PubChem CID122554526
Molecular FormulaC10H6N2O4S
Molecular Weight250.24 g/mol
Exact Mass250.00
IUPAC Name2-(5-carboxy-2-pyridinyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1ccc(-c2ncc(C(=O)O)s2)nc1
InChIInChI=1S/C10H6N2O4S/c13-9(14)5-1-2-6(11-3-5)8-12-4-7(17-8)10(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyISYUGJYTQIZJHV-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-(2-Pyridyl)-4-methylthiazole-5-carboxylic acid
CID 214841
4-Phenyl-2-(4-pyridyl)thiazole-5-carboxylic acid
CID 73012807
2-(Phenylthio)-3-pyridinecarboxylic acid
CID 725029
2-(4-Pyridyl)-4-methylthiazole-5-carboxylic acid
CID 1483713
4-Methyl-2-(pyridin-3-yl)-1,3-thiazole-5-carboxylic acid
CID 2763489
2-(2-Azanyl-1,3-Thiazol-4-Yl)pyridine-4-Carboxylic Acid
CID 96607511
2-(1,3-Thiazol-4-yl)pyridine-4-carboxylic acid
CID 96617507
6-(Thiophen-2-Yl)Pyridine-3-Carboxylic Acid
CID 15411144
2-(4-Methyl-1,3-thiazol-5-yl)ethyl pyridine-3-carboxylate;hydrochloride
CID 6603528
2-(2-Methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
CID 96608360
5-(Thiazol-2-yl)pyridine-2-carboxylic acid
CID 57827797
Thieno[2,3-b]pyridine-5-carboxylic acid
CID 14025921

Frequently Asked Questions

What is the IUPAC name of 2-(5-carboxy-2-pyridinyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(5-carboxy-2-pyridinyl)-1,3-thiazole-5-carboxylic acid (CID 122554526) is 2-(5-carboxy-2-pyridinyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(5-carboxy-2-pyridinyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(5-carboxy-2-pyridinyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1ccc(-c2ncc(C(=O)O)s2)nc1.
What is the InChIKey of 2-(5-carboxy-2-pyridinyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ISYUGJYTQIZJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O4S/c13-9(14)5-1-2-6(11-3-5)8-12-4-7(17-8)10(15)16/h1-4H,(H,13,14)(H,15,16).
What are the key properties of 2-(5-carboxy-2-pyridinyl)-1,3-thiazole-5-carboxylic acid?
2-(5-carboxy-2-pyridinyl)-1,3-thiazole-5-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-2-pyridinyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 122554526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).