1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone

C11H17N3OS — CID 65272221

IUPAC1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
SMILESCCc1nsc(N2CCCC(C(C)=O)C2)n1
InChIInChI=1S/C11H17N3OS/c1-3-10-12-11(16-13-10)14-6-4-5-9(7-14)8(2)15/h9H,3-7H2,1-2H3
InChIKeySSVTUXDAAANQHK-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.91
Rot. Bonds3

About 1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone

1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone (PubChem CID 65272221) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
PubChem CID65272221
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone
SMILESCCc1nsc(N2CCCC(C(C)=O)C2)n1
InChIInChI=1S/C11H17N3OS/c1-3-10-12-11(16-13-10)14-6-4-5-9(7-14)8(2)15/h9H,3-7H2,1-2H3
InChIKeySSVTUXDAAANQHK-UHFFFAOYSA-N
XLogP1.91
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone 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-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
The IUPAC name of 1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone (CID 65272221) is 1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
The canonical SMILES for 1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone is CCc1nsc(N2CCCC(C(C)=O)C2)n1.
What is the InChIKey of 1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
The InChIKey is SSVTUXDAAANQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-10-12-11(16-13-10)14-6-4-5-9(7-14)8(2)15/h9H,3-7H2,1-2H3.
What are the key properties of 1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone?
1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone has a molecular weight of 239.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]ethanone is sourced from PubChem (CID 65272221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).