5-(2-nitrophenyl)-1,2,4-thiadiazole

C8H5N3O2S — CID 21271844

IUPAC5-(2-nitrophenyl)-1,2,4-thiadiazole
SMILESO=[N+]([O-])c1ccccc1-c1ncns1
InChIInChI=1S/C8H5N3O2S/c12-11(13)7-4-2-1-3-6(7)8-9-5-10-14-8/h1-5H
InChIKeyUYLJRDIYRQKIHP-UHFFFAOYSA-N
MW207.21 g/mol
LogP2.11
Rot. Bonds2

About 5-(2-nitrophenyl)-1,2,4-thiadiazole

5-(2-nitrophenyl)-1,2,4-thiadiazole (PubChem CID 21271844) has the molecular formula C8H5N3O2S and a molecular weight of 207.21 g/mol. Its IUPAC name is 5-(2-nitrophenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-nitrophenyl)-1,2,4-thiadiazole
PubChem CID21271844
Molecular FormulaC8H5N3O2S
Molecular Weight207.21 g/mol
Exact Mass207.01
IUPAC Name5-(2-nitrophenyl)-1,2,4-thiadiazole
SMILESO=[N+]([O-])c1ccccc1-c1ncns1
InChIInChI=1S/C8H5N3O2S/c12-11(13)7-4-2-1-3-6(7)8-9-5-10-14-8/h1-5H
InChIKeyUYLJRDIYRQKIHP-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

3-methylsulfanyl-5-(2-nitrophenyl)-1,2,4-thiadiazole
CID 21271843
1-[2-(2-nitrophenyl)-1,3-thiazol-5-yl]ethanone
CID 62652991
2-ethyl-5-(2-nitrophenyl)-1,3,4-thiadiazole
CID 66942360
3,6-bis(2-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
CID 134109320
1-[2-(2-nitrophenyl)-1,3-thiazol-4-yl]ethanol
CID 64544321
anthracene-9,10-dione;1,2-dinitrobenzene
CID 174782436
2-nitroaniline;dihydrochloride
CID 69408891
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
ethyl 5-(2-nitrophenyl)-1,3,4-thiadiazole-2-carboxylate
CID 66942453
5-methylsulfanyl-3-(2-nitrophenyl)-1,2-thiazole
CID 21271831
2-(2-nitrophenyl)-1-benzothiophene
CID 14912770
1-nitro-2-phenylbenzene;pyridine
CID 174774599

Frequently Asked Questions

What is the IUPAC name of 5-(2-nitrophenyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(2-nitrophenyl)-1,2,4-thiadiazole (CID 21271844) is 5-(2-nitrophenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-nitrophenyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-nitrophenyl)-1,2,4-thiadiazole is O=[N+]([O-])c1ccccc1-c1ncns1.
What is the InChIKey of 5-(2-nitrophenyl)-1,2,4-thiadiazole?
The InChIKey is UYLJRDIYRQKIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O2S/c12-11(13)7-4-2-1-3-6(7)8-9-5-10-14-8/h1-5H.
What are the key properties of 5-(2-nitrophenyl)-1,2,4-thiadiazole?
5-(2-nitrophenyl)-1,2,4-thiadiazole 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-(2-nitrophenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 21271844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).