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

C11H11N3O2S — CID 66372975

IUPAC2-[1-(pyridin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(Nc1ccncc1)c1nc(C(=O)O)cs1
InChIInChI=1S/C11H11N3O2S/c1-7(13-8-2-4-12-5-3-8)10-14-9(6-17-10)11(15)16/h2-7H,1H3,(H,12,13)(H,15,16)
InChIKeyXUPFKAPBPBGLKM-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.41
Rot. Bonds4

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

2-[1-(pyridin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66372975) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-[1-(pyridin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(pyridin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66372975
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name2-[1-(pyridin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(Nc1ccncc1)c1nc(C(=O)O)cs1
InChIInChI=1S/C11H11N3O2S/c1-7(13-8-2-4-12-5-3-8)10-14-9(6-17-10)11(15)16/h2-7H,1H3,(H,12,13)(H,15,16)
InChIKeyXUPFKAPBPBGLKM-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

2-[1-(pyrimidin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375481
2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 105442108
2-[1-(sulfamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 114958949
2-[1-(3-methyl-4-nitroanilino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374706
2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 103385118
2-[1-(prop-2-enoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379617
2-[1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375286
2-[1-[(5,6-dimethylpyrazin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 114474543
2-[1-(2-cyanoanilino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374137
2-[1-[(6-cyano-2-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373557
2-[(1S)-1-hydroxyethyl]-1,3-thiazole-4-carboxylic acid
CID 45103110
2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66372661

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-(pyridin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid (CID 66372975) is 2-[1-(pyridin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-(pyridin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-(pyridin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid is CC(Nc1ccncc1)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[1-(pyridin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is XUPFKAPBPBGLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7(13-8-2-4-12-5-3-8)10-14-9(6-17-10)11(15)16/h2-7H,1H3,(H,12,13)(H,15,16).
What are the key properties of 2-[1-(pyridin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-(pyridin-4-ylamino)ethyl]-1,3-thiazole-4-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 2-[1-(pyridin-4-ylamino)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66372975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).