4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid

C13H9N5O2S — CID 86732530

IUPAC4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Nc2ncccn2)nc1-c1ccccn1
InChIInChI=1S/C13H9N5O2S/c19-11(20)10-9(8-4-1-2-5-14-8)17-13(21-10)18-12-15-6-3-7-16-12/h1-7H,(H,19,20)(H,15,16,17,18)
InChIKeyJOWNSKXJCUZVAR-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.44
Rot. Bonds4

About 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid

4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 86732530) has the molecular formula C13H9N5O2S and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID86732530
Molecular FormulaC13H9N5O2S
Molecular Weight299.31 g/mol
Exact Mass299.05
IUPAC Name4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(Nc2ncccn2)nc1-c1ccccn1
InChIInChI=1S/C13H9N5O2S/c19-11(20)10-9(8-4-1-2-5-14-8)17-13(21-10)18-12-15-6-3-7-16-12/h1-7H,(H,19,20)(H,15,16,17,18)
InChIKeyJOWNSKXJCUZVAR-UHFFFAOYSA-N
XLogP2.44
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid (CID 86732530) is 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(Nc2ncccn2)nc1-c1ccccn1.
What is the InChIKey of 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is JOWNSKXJCUZVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2S/c19-11(20)10-9(8-4-1-2-5-14-8)17-13(21-10)18-12-15-6-3-7-16-12/h1-7H,(H,19,20)(H,15,16,17,18).
What are the key properties of 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid?
4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 86732530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).