4-nitro-N-(thiatriazol-5-yl)benzamide

C8H5N5O3S — CID 19114267

IUPAC4-nitro-N-(thiatriazol-5-yl)benzamide
SMILESO=C(Nc1nnns1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H5N5O3S/c14-7(9-8-10-11-12-17-8)5-1-3-6(4-2-5)13(15)16/h1-4H,(H,9,10,12,14)
InChIKeyLRMFZHUNLUAISG-UHFFFAOYSA-N
MW251.23 g/mol
LogP1.09
Rot. Bonds3

About 4-nitro-N-(thiatriazol-5-yl)benzamide

4-nitro-N-(thiatriazol-5-yl)benzamide (PubChem CID 19114267) has the molecular formula C8H5N5O3S and a molecular weight of 251.23 g/mol. Its IUPAC name is 4-nitro-N-(thiatriazol-5-yl)benzamide.

Molecular Properties

Compound Name4-nitro-N-(thiatriazol-5-yl)benzamide
PubChem CID19114267
Molecular FormulaC8H5N5O3S
Molecular Weight251.23 g/mol
Exact Mass251.01
IUPAC Name4-nitro-N-(thiatriazol-5-yl)benzamide
SMILESO=C(Nc1nnns1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H5N5O3S/c14-7(9-8-10-11-12-17-8)5-1-3-6(4-2-5)13(15)16/h1-4H,(H,9,10,12,14)
InChIKeyLRMFZHUNLUAISG-UHFFFAOYSA-N
XLogP1.09
TPSA110.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-nitro-N-(thiatriazol-5-yl)benzamide
CID 114912099
5-[(4-nitrobenzoyl)amino]thiadiazole-4-carboxamide
CID 5212421
4-(2-aminoethyl)-N-(thiatriazol-5-yl)benzamide
CID 114912391
4-nitro-3-(propylamino)-N-(thiatriazol-5-yl)benzamide
CID 114914364
4-nitro-N-[6-[(4-nitrobenzoyl)amino]-2-pyridinyl]benzamide
CID 4320566
4-nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide
CID 127048994
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
CID 810799
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
CID 2169611
4-nitrobenzohydrazide;hydrochloride
CID 172718286
4-nitro-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]benzamide
CID 5022227
2-hydrazinyl-3-nitro-N-(thiatriazol-5-yl)benzamide
CID 114914479
N-(4-aminothiophen-3-yl)-4-nitrobenzamide
CID 139816874

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(thiatriazol-5-yl)benzamide?
The IUPAC name of 4-nitro-N-(thiatriazol-5-yl)benzamide (CID 19114267) is 4-nitro-N-(thiatriazol-5-yl)benzamide.
What is the SMILES notation for 4-nitro-N-(thiatriazol-5-yl)benzamide?
The canonical SMILES for 4-nitro-N-(thiatriazol-5-yl)benzamide is O=C(Nc1nnns1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-(thiatriazol-5-yl)benzamide?
The InChIKey is LRMFZHUNLUAISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5O3S/c14-7(9-8-10-11-12-17-8)5-1-3-6(4-2-5)13(15)16/h1-4H,(H,9,10,12,14).
What are the key properties of 4-nitro-N-(thiatriazol-5-yl)benzamide?
4-nitro-N-(thiatriazol-5-yl)benzamide has a molecular weight of 251.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(thiatriazol-5-yl)benzamide is sourced from PubChem (CID 19114267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).