[5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine

C8H7N5O2S — CID 14091206

IUPAC[5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(-c2ccccc2[N+](=O)[O-])s1
InChIInChI=1S/C8H7N5O2S/c9-10-8-12-11-7(16-8)5-3-1-2-4-6(5)13(14)15/h1-4H,9H2,(H,10,12)
InChIKeyGCEIYAWVSKSVQQ-UHFFFAOYSA-N
MW237.24 g/mol
LogP1.40
Rot. Bonds3

About [5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine

[5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 14091206) has the molecular formula C8H7N5O2S and a molecular weight of 237.24 g/mol. Its IUPAC name is [5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID14091206
Molecular FormulaC8H7N5O2S
Molecular Weight237.24 g/mol
Exact Mass237.03
IUPAC Name[5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(-c2ccccc2[N+](=O)[O-])s1
InChIInChI=1S/C8H7N5O2S/c9-10-8-12-11-7(16-8)5-3-1-2-4-6(5)13(14)15/h1-4H,9H2,(H,10,12)
InChIKeyGCEIYAWVSKSVQQ-UHFFFAOYSA-N
XLogP1.40
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine 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-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine (CID 14091206) is [5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine is NNc1nnc(-c2ccccc2[N+](=O)[O-])s1.
What is the InChIKey of [5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is GCEIYAWVSKSVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2S/c9-10-8-12-11-7(16-8)5-3-1-2-4-6(5)13(14)15/h1-4H,9H2,(H,10,12).
What are the key properties of [5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine?
[5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 237.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 14091206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).