6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxo-1H-pyridine-3-carboxylic acid

C11H10N2O3S — CID 63752087

IUPAC6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1nc(-c2ccc(C(=O)O)c(=O)[nH]2)c(C)s1
InChIInChI=1S/C11H10N2O3S/c1-5-9(12-6(2)17-5)8-4-3-7(11(15)16)10(14)13-8/h3-4H,1-2H3,(H,13,14)(H,15,16)
InChIKeyGKHFNIYCFPSVBC-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.81
Rot. Bonds2

About 6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxo-1H-pyridine-3-carboxylic acid

6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 63752087) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID63752087
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1nc(-c2ccc(C(=O)O)c(=O)[nH]2)c(C)s1
InChIInChI=1S/C11H10N2O3S/c1-5-9(12-6(2)17-5)8-4-3-7(11(15)16)10(14)13-8/h3-4H,1-2H3,(H,13,14)(H,15,16)
InChIKeyGKHFNIYCFPSVBC-UHFFFAOYSA-N
XLogP1.81
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 63752087) is 6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxo-1H-pyridine-3-carboxylic acid is Cc1nc(-c2ccc(C(=O)O)c(=O)[nH]2)c(C)s1.
What is the InChIKey of 6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is GKHFNIYCFPSVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-5-9(12-6(2)17-5)8-4-3-7(11(15)16)10(14)13-8/h3-4H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxo-1H-pyridine-3-carboxylic acid?
6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 63752087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).