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

C8H8ClN5O2S — CID 45263029

IUPAC[5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
SMILESCl.NNc1nnc(-c2ccccc2[N+](=O)[O-])s1
InChIInChI=1S/C8H7N5O2S.ClH/c9-10-8-12-11-7(16-8)5-3-1-2-4-6(5)13(14)15;/h1-4H,9H2,(H,10,12);1H
InChIKeyQEONEPKCBVNMCI-UHFFFAOYSA-N
MW273.71 g/mol
LogP1.82
Rot. Bonds3

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

[5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride (PubChem CID 45263029) has the molecular formula C8H8ClN5O2S and a molecular weight of 273.71 g/mol. Its IUPAC name is [5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
PubChem CID45263029
Molecular FormulaC8H8ClN5O2S
Molecular Weight273.71 g/mol
Exact Mass273.01
IUPAC Name[5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
SMILESCl.NNc1nnc(-c2ccccc2[N+](=O)[O-])s1
InChIInChI=1S/C8H7N5O2S.ClH/c9-10-8-12-11-7(16-8)5-3-1-2-4-6(5)13(14)15;/h1-4H,9H2,(H,10,12);1H
InChIKeyQEONEPKCBVNMCI-UHFFFAOYSA-N
XLogP1.82
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.71
LogP ≤ 51.82
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'}

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Frequently Asked Questions

What is the IUPAC name of [5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
The IUPAC name of [5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride (CID 45263029) is [5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride.
What is the SMILES notation for [5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
The canonical SMILES for [5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride is Cl.NNc1nnc(-c2ccccc2[N+](=O)[O-])s1.
What is the InChIKey of [5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
The InChIKey is QEONEPKCBVNMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2S.ClH/c9-10-8-12-11-7(16-8)5-3-1-2-4-6(5)13(14)15;/h1-4H,9H2,(H,10,12);1H.
What are the key properties of [5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
[5-(2-nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride has a molecular weight of 273.71 g/mol, XLogP of 1.82, 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;hydrochloride is sourced from PubChem (CID 45263029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).