4-[(E)-2-(4-nitrophenyl)ethenyl]thiadiazole

C10H7N3O2S — CID 5388286

IUPAC4-[(E)-2-(4-nitrophenyl)ethenyl]thiadiazole
SMILESO=[N+]([O-])c1ccc(/C=C/c2csnn2)cc1
InChIInChI=1S/C10H7N3O2S/c14-13(15)10-5-2-8(3-6-10)1-4-9-7-16-12-11-9/h1-7H/b4-1+
InChIKeySTAYCBUZFVGGLZ-DAFODLJHSA-N
MW233.25 g/mol
LogP2.62
Rot. Bonds3

About 4-[(E)-2-(4-nitrophenyl)ethenyl]thiadiazole

4-[(E)-2-(4-nitrophenyl)ethenyl]thiadiazole (PubChem CID 5388286) has the molecular formula C10H7N3O2S and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-[(E)-2-(4-nitrophenyl)ethenyl]thiadiazole.

Molecular Properties

Compound Name4-[(E)-2-(4-nitrophenyl)ethenyl]thiadiazole
PubChem CID5388286
Molecular FormulaC10H7N3O2S
Molecular Weight233.25 g/mol
Exact Mass233.03
IUPAC Name4-[(E)-2-(4-nitrophenyl)ethenyl]thiadiazole
SMILESO=[N+]([O-])c1ccc(/C=C/c2csnn2)cc1
InChIInChI=1S/C10H7N3O2S/c14-13(15)10-5-2-8(3-6-10)1-4-9-7-16-12-11-9/h1-7H/b4-1+
InChIKeySTAYCBUZFVGGLZ-DAFODLJHSA-N
XLogP2.62
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(E)-2-(4-nitrophenyl)ethenyl]thiadiazole 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-[(E)-2-(4-nitrophenyl)ethenyl]thiadiazole?
The IUPAC name of 4-[(E)-2-(4-nitrophenyl)ethenyl]thiadiazole (CID 5388286) is 4-[(E)-2-(4-nitrophenyl)ethenyl]thiadiazole.
What is the SMILES notation for 4-[(E)-2-(4-nitrophenyl)ethenyl]thiadiazole?
The canonical SMILES for 4-[(E)-2-(4-nitrophenyl)ethenyl]thiadiazole is O=[N+]([O-])c1ccc(/C=C/c2csnn2)cc1.
What is the InChIKey of 4-[(E)-2-(4-nitrophenyl)ethenyl]thiadiazole?
The InChIKey is STAYCBUZFVGGLZ-DAFODLJHSA-N. The full InChI is InChI=1S/C10H7N3O2S/c14-13(15)10-5-2-8(3-6-10)1-4-9-7-16-12-11-9/h1-7H/b4-1+.
What are the key properties of 4-[(E)-2-(4-nitrophenyl)ethenyl]thiadiazole?
4-[(E)-2-(4-nitrophenyl)ethenyl]thiadiazole has a molecular weight of 233.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-nitrophenyl)ethenyl]thiadiazole is sourced from PubChem (CID 5388286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).