2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid

C11H11N3O2S — CID 55219063

IUPAC2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCCc2nccs2)c1
InChIInChI=1S/C11H11N3O2S/c15-11(16)8-1-3-12-9(7-8)13-4-2-10-14-5-6-17-10/h1,3,5-7H,2,4H2,(H,12,13)(H,15,16)
InChIKeyYZPCEGVPRUJUHI-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.89
Rot. Bonds5

About 2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid

2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 55219063) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid
PubChem CID55219063
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCCc2nccs2)c1
InChIInChI=1S/C11H11N3O2S/c15-11(16)8-1-3-12-9(7-8)13-4-2-10-14-5-6-17-10/h1,3,5-7H,2,4H2,(H,12,13)(H,15,16)
InChIKeyYZPCEGVPRUJUHI-UHFFFAOYSA-N
XLogP1.89
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
CID 53408816
2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid
CID 60903144
N-[2-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66328284
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid
CID 106400845
4-nitro-3-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 82784103
2-(2-ethoxyethylamino)pyridine-4-carboxylic acid
CID 43591505
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 112723330
4-fluoro-3-[2-(1,3-thiazol-2-yl)ethylsulfamoyl]benzoic acid
CID 63242172
2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 82539161
2-(4-hydroxypentylamino)pyridine-4-carboxylic acid
CID 106136491
2-[(4-bromothiophen-2-yl)methylamino]pyridine-4-carboxylic acid
CID 62034388
2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617456

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid (CID 55219063) is 2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid is O=C(O)c1ccnc(NCCc2nccs2)c1.
What is the InChIKey of 2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is YZPCEGVPRUJUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c15-11(16)8-1-3-12-9(7-8)13-4-2-10-14-5-6-17-10/h1,3,5-7H,2,4H2,(H,12,13)(H,15,16).
What are the key properties of 2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid?
2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid has a molecular weight of 249.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 55219063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).