potassium 5-chloro-1,3,4-thiadiazole-2-carboxylate

C3ClKN2O2S — CID 133062797

IUPACpotassium 5-chloro-1,3,4-thiadiazole-2-carboxylate
SMILESO=C([O-])c1nnc(Cl)s1.[K+]
InChIInChI=1S/C3HClN2O2S.K/c4-3-6-5-1(9-3)2(7)8;/h(H,7,8);/q;+1/p-1
InChIKeyJYAABOVKEQPFAH-UHFFFAOYSA-M
MW202.66 g/mol
LogP-3.44
Rot. Bonds1

About potassium 5-chloro-1,3,4-thiadiazole-2-carboxylate

potassium 5-chloro-1,3,4-thiadiazole-2-carboxylate (PubChem CID 133062797) has the molecular formula C3ClKN2O2S and a molecular weight of 202.66 g/mol. Its IUPAC name is potassium 5-chloro-1,3,4-thiadiazole-2-carboxylate.

Molecular Properties

Compound Namepotassium 5-chloro-1,3,4-thiadiazole-2-carboxylate
PubChem CID133062797
Molecular FormulaC3ClKN2O2S
Molecular Weight202.66 g/mol
Exact Mass201.90
IUPAC Namepotassium 5-chloro-1,3,4-thiadiazole-2-carboxylate
SMILESO=C([O-])c1nnc(Cl)s1.[K+]
InChIInChI=1S/C3HClN2O2S.K/c4-3-6-5-1(9-3)2(7)8;/h(H,7,8);/q;+1/p-1
InChIKeyJYAABOVKEQPFAH-UHFFFAOYSA-M
XLogP-3.44
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 5-3.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium 5-chloro-1,3,4-thiadiazole-2-carboxylate?
The IUPAC name of potassium 5-chloro-1,3,4-thiadiazole-2-carboxylate (CID 133062797) is potassium 5-chloro-1,3,4-thiadiazole-2-carboxylate.
What is the SMILES notation for potassium 5-chloro-1,3,4-thiadiazole-2-carboxylate?
The canonical SMILES for potassium 5-chloro-1,3,4-thiadiazole-2-carboxylate is O=C([O-])c1nnc(Cl)s1.[K+].
What is the InChIKey of potassium 5-chloro-1,3,4-thiadiazole-2-carboxylate?
The InChIKey is JYAABOVKEQPFAH-UHFFFAOYSA-M. The full InChI is InChI=1S/C3HClN2O2S.K/c4-3-6-5-1(9-3)2(7)8;/h(H,7,8);/q;+1/p-1.
What are the key properties of potassium 5-chloro-1,3,4-thiadiazole-2-carboxylate?
potassium 5-chloro-1,3,4-thiadiazole-2-carboxylate has a molecular weight of 202.66 g/mol, XLogP of -3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-chloro-1,3,4-thiadiazole-2-carboxylate is sourced from PubChem (CID 133062797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).