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

C11H8N4O2S — CID 150082369

IUPAC8-(1,3-thiazol-2-yl)-5H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)C1=CN(c2nccs2)c2ncncc2C1
InChIInChI=1S/C11H8N4O2S/c16-10(17)8-3-7-4-12-6-14-9(7)15(5-8)11-13-1-2-18-11/h1-2,4-6H,3H2,(H,16,17)
InChIKeyDRNKUNITZNZCBH-UHFFFAOYSA-N
MW260.28 g/mol
LogP1.60
Rot. Bonds2

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

8-(1,3-thiazol-2-yl)-5H-pyrido[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 150082369) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 8-(1,3-thiazol-2-yl)-5H-pyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name8-(1,3-thiazol-2-yl)-5H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID150082369
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC Name8-(1,3-thiazol-2-yl)-5H-pyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)C1=CN(c2nccs2)c2ncncc2C1
InChIInChI=1S/C11H8N4O2S/c16-10(17)8-3-7-4-12-6-14-9(7)15(5-8)11-13-1-2-18-11/h1-2,4-6H,3H2,(H,16,17)
InChIKeyDRNKUNITZNZCBH-UHFFFAOYSA-N
XLogP1.60
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(1,3-thiazol-2-yl)-5H-pyrido[2,3-d]pyrimidine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(1,3-thiazol-2-yl)-5H-pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 8-(1,3-thiazol-2-yl)-5H-pyrido[2,3-d]pyrimidine-6-carboxylic acid (CID 150082369) is 8-(1,3-thiazol-2-yl)-5H-pyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 8-(1,3-thiazol-2-yl)-5H-pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 8-(1,3-thiazol-2-yl)-5H-pyrido[2,3-d]pyrimidine-6-carboxylic acid is O=C(O)C1=CN(c2nccs2)c2ncncc2C1.
What is the InChIKey of 8-(1,3-thiazol-2-yl)-5H-pyrido[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is DRNKUNITZNZCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c16-10(17)8-3-7-4-12-6-14-9(7)15(5-8)11-13-1-2-18-11/h1-2,4-6H,3H2,(H,16,17).
What are the key properties of 8-(1,3-thiazol-2-yl)-5H-pyrido[2,3-d]pyrimidine-6-carboxylic acid?
8-(1,3-thiazol-2-yl)-5H-pyrido[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 260.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,3-thiazol-2-yl)-5H-pyrido[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 150082369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).