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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Related Compounds

2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
2-(4-methylphenyl)-N-pyridin-3-ylacetamide
CID 890802
2-(2-fluorophenyl)-N-pyridin-3-ylacetamide
CID 4195275
2-(2-anilino-2-oxoethyl)pyridine-3-carboxylic acid
CID 22307391
N-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 45497670
3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-pyridin-3-ylpropanamide
CID 91833614
2-(2,4-difluorophenyl)-N-pyridin-3-ylacetamide
CID 110488862
N-pyridin-3-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879560
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
3-(2-methylhydrazinyl)-3-oxo-N-pyridin-3-ylpropanamide
CID 129281433
4,4-diphenyl-N-pyridin-3-ylbutanamide
CID 11976417
(3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid
CID 7316708

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).