5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]furan-2-carbaldehyde

C13H8N2O3S — CID 169334067

IUPAC5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(Oc3nncs3)c2)o1
InChIInChI=1S/C13H8N2O3S/c16-7-11-4-5-12(17-11)9-2-1-3-10(6-9)18-13-15-14-8-19-13/h1-8H
InChIKeyMVTRDSREQWUBEM-UHFFFAOYSA-N
MW272.29 g/mol
LogP3.40
Rot. Bonds4

About 5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]furan-2-carbaldehyde

5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]furan-2-carbaldehyde (PubChem CID 169334067) has the molecular formula C13H8N2O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is 5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]furan-2-carbaldehyde
PubChem CID169334067
Molecular FormulaC13H8N2O3S
Molecular Weight272.29 g/mol
Exact Mass272.03
IUPAC Name5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(Oc3nncs3)c2)o1
InChIInChI=1S/C13H8N2O3S/c16-7-11-4-5-12(17-11)9-2-1-3-10(6-9)18-13-15-14-8-19-13/h1-8H
InChIKeyMVTRDSREQWUBEM-UHFFFAOYSA-N
XLogP3.40
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]furan-2-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 5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]furan-2-carbaldehyde (CID 169334067) is 5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2cccc(Oc3nncs3)c2)o1.
What is the InChIKey of 5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]furan-2-carbaldehyde?
The InChIKey is MVTRDSREQWUBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3S/c16-7-11-4-5-12(17-11)9-2-1-3-10(6-9)18-13-15-14-8-19-13/h1-8H.
What are the key properties of 5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]furan-2-carbaldehyde?
5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]furan-2-carbaldehyde has a molecular weight of 272.29 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1,3,4-thiadiazol-2-yloxy)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).