2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide

C9H8N6O3S — CID 55052407

IUPAC2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESNNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nncs1
InChIInChI=1S/C9H8N6O3S/c10-13-7-2-1-5(15(17)18)3-6(7)8(16)12-9-14-11-4-19-9/h1-4,13H,10H2,(H,12,14,16)
InChIKeyJNVKRWIGNCTLJQ-UHFFFAOYSA-N
MW280.27 g/mol
LogP0.98
Rot. Bonds4

About 2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide

2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 55052407) has the molecular formula C9H8N6O3S and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID55052407
Molecular FormulaC9H8N6O3S
Molecular Weight280.27 g/mol
Exact Mass280.04
IUPAC Name2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESNNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nncs1
InChIInChI=1S/C9H8N6O3S/c10-13-7-2-1-5(15(17)18)3-6(7)8(16)12-9-14-11-4-19-9/h1-4,13H,10H2,(H,12,14,16)
InChIKeyJNVKRWIGNCTLJQ-UHFFFAOYSA-N
XLogP0.98
TPSA136.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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Related Compounds

2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369991
2-methoxy-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370129
2-hydrazinyl-5-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 62510782
3-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 113333579
2-chloro-5-nitro-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 113264937
5-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 62234667
2-chloro-3,5-dinitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 3276112
2-hydrazinyl-N-(4-methylphenyl)-5-nitrobenzamide
CID 62241799
N-(5-chloro-2-pyridinyl)-2-hydrazinyl-5-nitrobenzamide
CID 62242361
3-amino-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 115548091
2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 3447971
1-(2-iodo-5-nitrobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55957732

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 55052407) is 2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide is NNc1ccc([N+](=O)[O-])cc1C(=O)Nc1nncs1.
What is the InChIKey of 2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is JNVKRWIGNCTLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O3S/c10-13-7-2-1-5(15(17)18)3-6(7)8(16)12-9-14-11-4-19-9/h1-4,13H,10H2,(H,12,14,16).
What are the key properties of 2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 280.27 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 55052407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).