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

C6H3N3O3S — CID 96590921

IUPAC3-(1,3-thiazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESO=C(O)c1nc(-c2cncs2)no1
InChIInChI=1S/C6H3N3O3S/c10-6(11)5-8-4(9-12-5)3-1-7-2-13-3/h1-2H,(H,10,11)
InChIKeyRPIJHEMUDIYZGL-UHFFFAOYSA-N
MW197.18 g/mol
LogP0.89
Rot. Bonds2

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

3-(1,3-thiazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid (PubChem CID 96590921) has the molecular formula C6H3N3O3S and a molecular weight of 197.18 g/mol. Its IUPAC name is 3-(1,3-thiazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-thiazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
PubChem CID96590921
Molecular FormulaC6H3N3O3S
Molecular Weight197.18 g/mol
Exact Mass196.99
IUPAC Name3-(1,3-thiazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESO=C(O)c1nc(-c2cncs2)no1
InChIInChI=1S/C6H3N3O3S/c10-6(11)5-8-4(9-12-5)3-1-7-2-13-3/h1-2H,(H,10,11)
InChIKeyRPIJHEMUDIYZGL-UHFFFAOYSA-N
XLogP0.89
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The IUPAC name of 3-(1,3-thiazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid (CID 96590921) is 3-(1,3-thiazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid.
What is the SMILES notation for 3-(1,3-thiazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The canonical SMILES for 3-(1,3-thiazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid is O=C(O)c1nc(-c2cncs2)no1.
What is the InChIKey of 3-(1,3-thiazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid?
The InChIKey is RPIJHEMUDIYZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O3S/c10-6(11)5-8-4(9-12-5)3-1-7-2-13-3/h1-2H,(H,10,11).
What are the key properties of 3-(1,3-thiazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid?
3-(1,3-thiazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid has a molecular weight of 197.18 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid is sourced from PubChem (CID 96590921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).