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

C11H17N3O2S — CID 65270156

IUPAC3-ethyl-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESCCc1nsc(N2CCC(CC)(C(=O)O)C2)n1
InChIInChI=1S/C11H17N3O2S/c1-3-8-12-10(17-13-8)14-6-5-11(4-2,7-14)9(15)16/h3-7H2,1-2H3,(H,15,16)
InChIKeyXKPHXRARRIFQBW-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.79
Rot. Bonds4

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

3-ethyl-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid (PubChem CID 65270156) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-ethyl-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid
PubChem CID65270156
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name3-ethyl-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESCCc1nsc(N2CCC(CC)(C(=O)O)C2)n1
InChIInChI=1S/C11H17N3O2S/c1-3-8-12-10(17-13-8)14-6-5-11(4-2,7-14)9(15)16/h3-7H2,1-2H3,(H,15,16)
InChIKeyXKPHXRARRIFQBW-UHFFFAOYSA-N
XLogP1.79
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid (CID 65270156) is 3-ethyl-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid is CCc1nsc(N2CCC(CC)(C(=O)O)C2)n1.
What is the InChIKey of 3-ethyl-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is XKPHXRARRIFQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-8-12-10(17-13-8)14-6-5-11(4-2,7-14)9(15)16/h3-7H2,1-2H3,(H,15,16).
What are the key properties of 3-ethyl-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 255.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65270156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).