3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide

C10H7FN4O3S — CID 115661259

IUPAC3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide
SMILESCc1nsc(NC(=O)c2ccc([N+](=O)[O-])c(F)c2)n1
InChIInChI=1S/C10H7FN4O3S/c1-5-12-10(19-14-5)13-9(16)6-2-3-8(15(17)18)7(11)4-6/h2-4H,1H3,(H,12,13,14,16)
InChIKeyIPFYSXASJHIYQB-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.15
Rot. Bonds3

About 3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide

3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide (PubChem CID 115661259) has the molecular formula C10H7FN4O3S and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide
PubChem CID115661259
Molecular FormulaC10H7FN4O3S
Molecular Weight282.26 g/mol
Exact Mass282.02
IUPAC Name3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide
SMILESCc1nsc(NC(=O)c2ccc([N+](=O)[O-])c(F)c2)n1
InChIInChI=1S/C10H7FN4O3S/c1-5-12-10(19-14-5)13-9(16)6-2-3-8(15(17)18)7(11)4-6/h2-4H,1H3,(H,12,13,14,16)
InChIKeyIPFYSXASJHIYQB-UHFFFAOYSA-N
XLogP2.15
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.15
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-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide 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-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide
CID 103712002
4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-nitrobenzamide
CID 115661232
2,5-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide
CID 104705209
4-(ethylamino)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-nitrobenzamide
CID 115666689
3-fluoro-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 55103700
2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
CID 115661242
N-(3,4-dimethylphenyl)-3-fluoro-4-nitrobenzamide
CID 62682340
N-(2,5-dimethylpyrazol-3-yl)-3-fluoro-4-nitrobenzamide
CID 62680904
N-(2-chloro-4-iodophenyl)-3-fluoro-4-nitrobenzamide
CID 62680232
N-(4-bromo-2-methylphenyl)-3-fluoro-4-nitrobenzamide
CID 62681982
4-bromo-2,6-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
CID 113253817
N-(3,4-dichlorophenyl)-3-fluoro-4-nitrobenzamide
CID 62680379

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide?
The IUPAC name of 3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide (CID 115661259) is 3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide.
What is the SMILES notation for 3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide?
The canonical SMILES for 3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide is Cc1nsc(NC(=O)c2ccc([N+](=O)[O-])c(F)c2)n1.
What is the InChIKey of 3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide?
The InChIKey is IPFYSXASJHIYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O3S/c1-5-12-10(19-14-5)13-9(16)6-2-3-8(15(17)18)7(11)4-6/h2-4H,1H3,(H,12,13,14,16).
What are the key properties of 3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide?
3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide has a molecular weight of 282.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide is sourced from PubChem (CID 115661259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).