5-nitro-4-phenylthiadiazole

C8H5N3O2S — CID 141062488

IUPAC5-nitro-4-phenylthiadiazole
SMILESO=[N+]([O-])c1snnc1-c1ccccc1
InChIInChI=1S/C8H5N3O2S/c12-11(13)8-7(9-10-14-8)6-4-2-1-3-5-6/h1-5H
InChIKeyHCBVGTFISPGIIB-UHFFFAOYSA-N
MW207.21 g/mol
LogP2.11
Rot. Bonds2

About 5-nitro-4-phenylthiadiazole

5-nitro-4-phenylthiadiazole (PubChem CID 141062488) has the molecular formula C8H5N3O2S and a molecular weight of 207.21 g/mol. Its IUPAC name is 5-nitro-4-phenylthiadiazole.

Molecular Properties

Compound Name5-nitro-4-phenylthiadiazole
PubChem CID141062488
Molecular FormulaC8H5N3O2S
Molecular Weight207.21 g/mol
Exact Mass207.01
IUPAC Name5-nitro-4-phenylthiadiazole
SMILESO=[N+]([O-])c1snnc1-c1ccccc1
InChIInChI=1S/C8H5N3O2S/c12-11(13)8-7(9-10-14-8)6-4-2-1-3-5-6/h1-5H
InChIKeyHCBVGTFISPGIIB-UHFFFAOYSA-N
XLogP2.11
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-Phenyl-[1,2,3]thiadiazol-5-ylamine
CID 2747165
3-Phenyl-4-sulfamoyl-1,2,5-oxadiazole 2-oxide
CID 44542293
4-Phenyl-1,2,5-oxadiazole-3-sulfonamide
CID 44542294
4-Phenyl-3-sulfamoyl-1,2,5-oxadiazole 2-oxide
CID 44542743
4-(4-Nitrophenyl)-1,2,3-thiadiazole
CID 560748
4-(2-Nitrophenyl)-1,2,3-thiadiazole
CID 12031008
5-Chloro-4-(3-nitrophenyl)-1,2,3-thiadiazole
CID 122163435
3-Oxido-4,5-diphenylthiadiazol-3-ium
CID 15554905
4-[(E)-2-(4-nitrophenyl)vinyl]thiadiazole
CID 5388286
(2-Amino-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl) thiohypofluorite
CID 59637596
4-(4-Fluorophenyl)-1,2,3-thiadiazol-5-amine
CID 74891879
4-(2-Fluorophenyl)-1,2,3-thiadiazol-5-amine
CID 74891926

Frequently Asked Questions

What is the IUPAC name of 5-nitro-4-phenylthiadiazole?
The IUPAC name of 5-nitro-4-phenylthiadiazole (CID 141062488) is 5-nitro-4-phenylthiadiazole.
What is the SMILES notation for 5-nitro-4-phenylthiadiazole?
The canonical SMILES for 5-nitro-4-phenylthiadiazole is O=[N+]([O-])c1snnc1-c1ccccc1.
What is the InChIKey of 5-nitro-4-phenylthiadiazole?
The InChIKey is HCBVGTFISPGIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O2S/c12-11(13)8-7(9-10-14-8)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 5-nitro-4-phenylthiadiazole?
5-nitro-4-phenylthiadiazole has a molecular weight of 207.21 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-4-phenylthiadiazole is sourced from PubChem (CID 141062488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).