5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid

C11H6N4O3S — CID 150981853

IUPAC5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cn(-c2nccs2)c2ncncc2c1=O
InChIInChI=1S/C11H6N4O3S/c16-8-6-3-12-5-14-9(6)15(4-7(8)10(17)18)11-13-1-2-19-11/h1-5H,(H,17,18)
InChIKeyLQGMWMXEFXUMKV-UHFFFAOYSA-N
MW274.26 g/mol
LogP0.94
Rot. Bonds2

About 5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid

5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 150981853) has the molecular formula C11H6N4O3S and a molecular weight of 274.26 g/mol. Its IUPAC name is 5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID150981853
Molecular FormulaC11H6N4O3S
Molecular Weight274.26 g/mol
Exact Mass274.02
IUPAC Name5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cn(-c2nccs2)c2ncncc2c1=O
InChIInChI=1S/C11H6N4O3S/c16-8-6-3-12-5-14-9(6)15(4-7(8)10(17)18)11-13-1-2-19-11/h1-5H,(H,17,18)
InChIKeyLQGMWMXEFXUMKV-UHFFFAOYSA-N
XLogP0.94
TPSA97.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid (CID 150981853) is 5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid is O=C(O)c1cn(-c2nccs2)c2ncncc2c1=O.
What is the InChIKey of 5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is LQGMWMXEFXUMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N4O3S/c16-8-6-3-12-5-14-9(6)15(4-7(8)10(17)18)11-13-1-2-19-11/h1-5H,(H,17,18).
What are the key properties of 5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid?
5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 274.26 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 150981853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).