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

C9H8N6O3S — CID 113333579

IUPAC3-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESNNc1cccc(C(=O)Nc2nncs2)c1[N+](=O)[O-]
InChIInChI=1S/C9H8N6O3S/c10-13-6-3-1-2-5(7(6)15(17)18)8(16)12-9-14-11-4-19-9/h1-4,13H,10H2,(H,12,14,16)
InChIKeyLECIDWKMAPBJNJ-UHFFFAOYSA-N
MW280.27 g/mol
LogP0.98
Rot. Bonds4

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

3-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 113333579) has the molecular formula C9H8N6O3S and a molecular weight of 280.27 g/mol. Its IUPAC name is 3-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID113333579
Molecular FormulaC9H8N6O3S
Molecular Weight280.27 g/mol
Exact Mass280.04
IUPAC Name3-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESNNc1cccc(C(=O)Nc2nncs2)c1[N+](=O)[O-]
InChIInChI=1S/C9H8N6O3S/c10-13-6-3-1-2-5(7(6)15(17)18)8(16)12-9-14-11-4-19-9/h1-4,13H,10H2,(H,12,14,16)
InChIKeyLECIDWKMAPBJNJ-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

3-amino-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 115548091
2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 55052407
3-hydrazinyl-2-nitro-N-pyrimidin-5-ylbenzamide
CID 107590020
N-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549451
5-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 62234667
2-hydrazinyl-5-methyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 62510782
3-hydrazinyl-2-nitro-N-(1,2-oxazol-4-yl)benzamide
CID 113333612
3-hydrazinyl-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide
CID 115549707
N-(4-amino-4-oxobutyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549371
2-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 2806491
3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 113333584
3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 115549682

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 113333579) is 3-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide is NNc1cccc(C(=O)Nc2nncs2)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is LECIDWKMAPBJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O3S/c10-13-6-3-1-2-5(7(6)15(17)18)8(16)12-9-14-11-4-19-9/h1-4,13H,10H2,(H,12,14,16).
What are the key properties of 3-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
3-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 3-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 113333579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).