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

C10H15N3O2S — CID 65273603

IUPAC1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
SMILESCCc1nsc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C10H15N3O2S/c1-2-8-11-10(16-12-8)13-5-3-7(4-6-13)9(14)15/h7H,2-6H2,1H3,(H,14,15)
InChIKeyWIEXRLQULYYFMD-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.40
Rot. Bonds3

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

1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid (PubChem CID 65273603) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
PubChem CID65273603
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid
SMILESCCc1nsc(N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C10H15N3O2S/c1-2-8-11-10(16-12-8)13-5-3-7(4-6-13)9(14)15/h7H,2-6H2,1H3,(H,14,15)
InChIKeyWIEXRLQULYYFMD-UHFFFAOYSA-N
XLogP1.40
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-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 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid (CID 65273603) is 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid is CCc1nsc(N2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid?
The InChIKey is WIEXRLQULYYFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-2-8-11-10(16-12-8)13-5-3-7(4-6-13)9(14)15/h7H,2-6H2,1H3,(H,14,15).
What are the key properties of 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid?
1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid has a molecular weight of 241.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 65273603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).