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

C13H14N4OS — CID 78225484

IUPAC4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C13H14N4OS/c18-10-16-6-8-17(9-7-16)13-14-12(15-19-13)11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKeyCRYHWOFSJBFQMI-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.48
Rot. Bonds3

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

4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbaldehyde (PubChem CID 78225484) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbaldehyde
PubChem CID78225484
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2nc(-c3ccccc3)ns2)CC1
InChIInChI=1S/C13H14N4OS/c18-10-16-6-8-17(9-7-16)13-14-12(15-19-13)11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKeyCRYHWOFSJBFQMI-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-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 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbaldehyde (CID 78225484) is 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbaldehyde is O=CN1CCN(c2nc(-c3ccccc3)ns2)CC1.
What is the InChIKey of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbaldehyde?
The InChIKey is CRYHWOFSJBFQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c18-10-16-6-8-17(9-7-16)13-14-12(15-19-13)11-4-2-1-3-5-11/h1-5,10H,6-9H2.
What are the key properties of 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbaldehyde?
4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbaldehyde has a molecular weight of 274.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbaldehyde is sourced from PubChem (CID 78225484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).