5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxylic acid

C8H8N4O3S — CID 112632032

IUPAC5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESCC(N)c1nc(-c2nc(C(=O)O)no2)cs1
InChIInChI=1S/C8H8N4O3S/c1-3(9)7-10-4(2-16-7)6-11-5(8(13)14)12-15-6/h2-3H,9H2,1H3,(H,13,14)
InChIKeyLVWSCLKFPJVYFE-UHFFFAOYSA-N
MW240.24 g/mol
LogP0.91
Rot. Bonds3

About 5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxylic acid

5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 112632032) has the molecular formula C8H8N4O3S and a molecular weight of 240.24 g/mol. Its IUPAC name is 5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID112632032
Molecular FormulaC8H8N4O3S
Molecular Weight240.24 g/mol
Exact Mass240.03
IUPAC Name5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESCC(N)c1nc(-c2nc(C(=O)O)no2)cs1
InChIInChI=1S/C8H8N4O3S/c1-3(9)7-10-4(2-16-7)6-11-5(8(13)14)12-15-6/h2-3H,9H2,1H3,(H,13,14)
InChIKeyLVWSCLKFPJVYFE-UHFFFAOYSA-N
XLogP0.91
TPSA115.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxylic acid (CID 112632032) is 5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxylic acid is CC(N)c1nc(-c2nc(C(=O)O)no2)cs1.
What is the InChIKey of 5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is LVWSCLKFPJVYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3S/c1-3(9)7-10-4(2-16-7)6-11-5(8(13)14)12-15-6/h2-3H,9H2,1H3,(H,13,14).
What are the key properties of 5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxylic acid?
5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 240.24 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 112632032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).