3-(3-ethyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxylic acid

C9H12N2O3S — CID 130545178

IUPAC3-(3-ethyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxylic acid
SMILESCCc1nsc(C2(C(=O)O)CCOC2)n1
InChIInChI=1S/C9H12N2O3S/c1-2-6-10-7(15-11-6)9(8(12)13)3-4-14-5-9/h2-5H2,1H3,(H,12,13)
InChIKeyYIKPADXMWYVUGK-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.84
Rot. Bonds3

About 3-(3-ethyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxylic acid

3-(3-ethyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxylic acid (PubChem CID 130545178) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-(3-ethyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxylic acid
PubChem CID130545178
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name3-(3-ethyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxylic acid
SMILESCCc1nsc(C2(C(=O)O)CCOC2)n1
InChIInChI=1S/C9H12N2O3S/c1-2-6-10-7(15-11-6)9(8(12)13)3-4-14-5-9/h2-5H2,1H3,(H,12,13)
InChIKeyYIKPADXMWYVUGK-UHFFFAOYSA-N
XLogP0.84
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxylic acid?
The IUPAC name of 3-(3-ethyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxylic acid (CID 130545178) is 3-(3-ethyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(3-ethyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(3-ethyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxylic acid is CCc1nsc(C2(C(=O)O)CCOC2)n1.
What is the InChIKey of 3-(3-ethyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxylic acid?
The InChIKey is YIKPADXMWYVUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-2-6-10-7(15-11-6)9(8(12)13)3-4-14-5-9/h2-5H2,1H3,(H,12,13).
What are the key properties of 3-(3-ethyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxylic acid?
3-(3-ethyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxylic acid has a molecular weight of 228.27 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1,2,4-thiadiazol-5-yl)oxolane-3-carboxylic acid is sourced from PubChem (CID 130545178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).