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

C9H8N6O3S — CID 62234667

IUPAC5-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESNNc1ccc([N+](=O)[O-])c(C(=O)Nc2nncs2)c1
InChIInChI=1S/C9H8N6O3S/c10-13-5-1-2-7(15(17)18)6(3-5)8(16)12-9-14-11-4-19-9/h1-4,13H,10H2,(H,12,14,16)
InChIKeyYOIOHBFLQRHVTQ-UHFFFAOYSA-N
MW280.27 g/mol
LogP0.98
Rot. Bonds4

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

5-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 62234667) has the molecular formula C9H8N6O3S and a molecular weight of 280.27 g/mol. Its IUPAC name is 5-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID62234667
Molecular FormulaC9H8N6O3S
Molecular Weight280.27 g/mol
Exact Mass280.04
IUPAC Name5-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESNNc1ccc([N+](=O)[O-])c(C(=O)Nc2nncs2)c1
InChIInChI=1S/C9H8N6O3S/c10-13-5-1-2-7(15(17)18)6(3-5)8(16)12-9-14-11-4-19-9/h1-4,13H,10H2,(H,12,14,16)
InChIKeyYOIOHBFLQRHVTQ-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-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 55052407
5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 62248462
3-hydroxy-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370606
3-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 113333579
3-fluoro-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 55103700
5-hydrazinyl-N-(5-methyl-2-pyridinyl)-2-nitrobenzamide
CID 62238212
2-chloro-3,5-dinitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 3276112
3-amino-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 115548091
5-hydrazinyl-N-(3-methylpentan-3-yl)-2-nitrobenzamide
CID 106331363
2-(methylamino)-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369991
2-hydrazinyl-5-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 62510782
N-(3,3-dimethylbutan-2-yl)-5-hydrazinyl-2-nitrobenzamide
CID 104829982

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 5-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 62234667) is 5-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 5-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 5-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide is NNc1ccc([N+](=O)[O-])c(C(=O)Nc2nncs2)c1.
What is the InChIKey of 5-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is YOIOHBFLQRHVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O3S/c10-13-5-1-2-7(15(17)18)6(3-5)8(16)12-9-14-11-4-19-9/h1-4,13H,10H2,(H,12,14,16).
What are the key properties of 5-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
5-hydrazinyl-2-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 5-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 62234667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).