potassium 5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxylate

C7H3KN2O3S — CID 155971147

IUPACpotassium 5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxylate
SMILESO=C([O-])c1nnc(-c2cccs2)o1.[K+]
InChIInChI=1S/C7H4N2O3S.K/c10-7(11)6-9-8-5(12-6)4-2-1-3-13-4;/h1-3H,(H,10,11);/q;+1/p-1
InChIKeyLSDJYKJXTDDIML-UHFFFAOYSA-M
MW234.28 g/mol
LogP-2.83
Rot. Bonds2

About potassium 5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxylate

potassium 5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxylate (PubChem CID 155971147) has the molecular formula C7H3KN2O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is potassium 5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namepotassium 5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxylate
PubChem CID155971147
Molecular FormulaC7H3KN2O3S
Molecular Weight234.28 g/mol
Exact Mass233.95
IUPAC Namepotassium 5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxylate
SMILESO=C([O-])c1nnc(-c2cccs2)o1.[K+]
InChIInChI=1S/C7H4N2O3S.K/c10-7(11)6-9-8-5(12-6)4-2-1-3-13-4;/h1-3H,(H,10,11);/q;+1/p-1
InChIKeyLSDJYKJXTDDIML-UHFFFAOYSA-M
XLogP-2.83
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-2.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of potassium 5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of potassium 5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxylate (CID 155971147) is potassium 5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for potassium 5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for potassium 5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxylate is O=C([O-])c1nnc(-c2cccs2)o1.[K+].
What is the InChIKey of potassium 5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is LSDJYKJXTDDIML-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4N2O3S.K/c10-7(11)6-9-8-5(12-6)4-2-1-3-13-4;/h1-3H,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxylate?
potassium 5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 234.28 g/mol, XLogP of -2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-thiophen-2-yl-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 155971147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).