4-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid

C11H9N3O3S — CID 70919678

IUPAC4-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(Cc1ncsc1C(=O)O)Nc1cccnc1
InChIInChI=1S/C11H9N3O3S/c15-9(14-7-2-1-3-12-5-7)4-8-10(11(16)17)18-6-13-8/h1-3,5-6H,4H2,(H,14,15)(H,16,17)
InChIKeyXOFCQIABYOWFRK-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.42
Rot. Bonds4

About 4-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid

4-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 70919678) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 4-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID70919678
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name4-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(Cc1ncsc1C(=O)O)Nc1cccnc1
InChIInChI=1S/C11H9N3O3S/c15-9(14-7-2-1-3-12-5-7)4-8-10(11(16)17)18-6-13-8/h1-3,5-6H,4H2,(H,14,15)(H,16,17)
InChIKeyXOFCQIABYOWFRK-UHFFFAOYSA-N
XLogP1.42
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid (CID 70919678) is 4-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid is O=C(Cc1ncsc1C(=O)O)Nc1cccnc1.
What is the InChIKey of 4-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is XOFCQIABYOWFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c15-9(14-7-2-1-3-12-5-7)4-8-10(11(16)17)18-6-13-8/h1-3,5-6H,4H2,(H,14,15)(H,16,17).
What are the key properties of 4-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid?
4-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 263.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 70919678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).