1-(1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde

C8H11N3OS — CID 65280159

IUPAC1-(1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(c2ncns2)C1
InChIInChI=1S/C8H11N3OS/c12-5-7-2-1-3-11(4-7)8-9-6-10-13-8/h5-7H,1-4H2
InChIKeyFDQKKJLIJICFAG-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.95
Rot. Bonds2

About 1-(1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde

1-(1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde (PubChem CID 65280159) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-(1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde
PubChem CID65280159
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name1-(1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(c2ncns2)C1
InChIInChI=1S/C8H11N3OS/c12-5-7-2-1-3-11(4-7)8-9-6-10-13-8/h5-7H,1-4H2
InChIKeyFDQKKJLIJICFAG-UHFFFAOYSA-N
XLogP0.95
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde 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-(1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde (CID 65280159) is 1-(1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde is O=CC1CCCN(c2ncns2)C1.
What is the InChIKey of 1-(1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde?
The InChIKey is FDQKKJLIJICFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c12-5-7-2-1-3-11(4-7)8-9-6-10-13-8/h5-7H,1-4H2.
What are the key properties of 1-(1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde?
1-(1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde has a molecular weight of 197.26 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-thiadiazol-5-yl)piperidine-3-carbaldehyde is sourced from PubChem (CID 65280159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).