5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid

C11H11N3O2S — CID 115490965

IUPAC5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid
SMILESCC(Nc1ccc(C(=O)O)nc1)c1nccs1
InChIInChI=1S/C11H11N3O2S/c1-7(10-12-4-5-17-10)14-8-2-3-9(11(15)16)13-6-8/h2-7,14H,1H3,(H,15,16)
InChIKeyWCYJSHQNKPYQEL-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.41
Rot. Bonds4

About 5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid

5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid (PubChem CID 115490965) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid
PubChem CID115490965
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid
SMILESCC(Nc1ccc(C(=O)O)nc1)c1nccs1
InChIInChI=1S/C11H11N3O2S/c1-7(10-12-4-5-17-10)14-8-2-3-9(11(15)16)13-6-8/h2-7,14H,1H3,(H,15,16)
InChIKeyWCYJSHQNKPYQEL-UHFFFAOYSA-N
XLogP2.41
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
CID 64988274
2-fluoro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 64993384
4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993028
5-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 64629293
3-[1-(1,3-thiazol-2-yl)ethylamino]pyridazine-4-carboxylic acid
CID 80516783
methyl 2-chloro-5-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993310
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638813
2-methyl-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 114214454
4-butan-2-yl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993113
5-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638991
methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993607
5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 115490686

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid (CID 115490965) is 5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid is CC(Nc1ccc(C(=O)O)nc1)c1nccs1.
What is the InChIKey of 5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is WCYJSHQNKPYQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7(10-12-4-5-17-10)14-8-2-3-9(11(15)16)13-6-8/h2-7,14H,1H3,(H,15,16).
What are the key properties of 5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid?
5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid has a molecular weight of 249.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 115490965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).