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

C9H5FN4O3S — CID 55103700

IUPAC3-fluoro-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C9H5FN4O3S/c10-6-3-5(1-2-7(6)14(16)17)8(15)12-9-13-11-4-18-9/h1-4H,(H,12,13,15)
InChIKeyPPVIJWJGXQNBLK-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.84
Rot. Bonds3

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

3-fluoro-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 55103700) has the molecular formula C9H5FN4O3S and a molecular weight of 268.23 g/mol. Its IUPAC name is 3-fluoro-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID55103700
Molecular FormulaC9H5FN4O3S
Molecular Weight268.23 g/mol
Exact Mass268.01
IUPAC Name3-fluoro-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C9H5FN4O3S/c10-6-3-5(1-2-7(6)14(16)17)8(15)12-9-13-11-4-18-9/h1-4H,(H,12,13,15)
InChIKeyPPVIJWJGXQNBLK-UHFFFAOYSA-N
XLogP1.84
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370606
3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide
CID 115661259
N-(3,4-dichlorophenyl)-3-fluoro-4-nitrobenzamide
CID 62680379
5-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 62234667
[4-[2-nitro-4-(1,3,4-thiadiazol-2-ylcarbamoyl)phenoxy]phenyl]carbamic acid
CID 141181390
3-fluoro-4-nitrobenzamide
CID 11423967
3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 739253
4-bromo-3-chloro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 80973968
N-(3,4-dimethylphenyl)-3-fluoro-4-nitrobenzamide
CID 62682340
N-(2,5-dimethylpyrazol-3-yl)-3-fluoro-4-nitrobenzamide
CID 62680904
3-fluoro-4-nitrobenzamide;urea
CID 162262537
N-(2-chloro-4-iodophenyl)-3-fluoro-4-nitrobenzamide
CID 62680232

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-fluoro-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 55103700) is 3-fluoro-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-fluoro-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-fluoro-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of 3-fluoro-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is PPVIJWJGXQNBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN4O3S/c10-6-3-5(1-2-7(6)14(16)17)8(15)12-9-13-11-4-18-9/h1-4H,(H,12,13,15).
What are the key properties of 3-fluoro-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide?
3-fluoro-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 268.23 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 55103700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).