4-(2-chloro-5-nitrophenyl)thiadiazole

C8H4ClN3O2S — CID 90964903

IUPAC4-(2-chloro-5-nitrophenyl)thiadiazole
SMILESO=[N+]([O-])c1ccc(Cl)c(-c2csnn2)c1
InChIInChI=1S/C8H4ClN3O2S/c9-7-2-1-5(12(13)14)3-6(7)8-4-15-11-10-8/h1-4H
InChIKeyFNLAJPWVFZGBJA-UHFFFAOYSA-N
MW241.66 g/mol
LogP2.77
Rot. Bonds2

About 4-(2-chloro-5-nitrophenyl)thiadiazole

4-(2-chloro-5-nitrophenyl)thiadiazole (PubChem CID 90964903) has the molecular formula C8H4ClN3O2S and a molecular weight of 241.66 g/mol. Its IUPAC name is 4-(2-chloro-5-nitrophenyl)thiadiazole.

Molecular Properties

Compound Name4-(2-chloro-5-nitrophenyl)thiadiazole
PubChem CID90964903
Molecular FormulaC8H4ClN3O2S
Molecular Weight241.66 g/mol
Exact Mass240.97
IUPAC Name4-(2-chloro-5-nitrophenyl)thiadiazole
SMILESO=[N+]([O-])c1ccc(Cl)c(-c2csnn2)c1
InChIInChI=1S/C8H4ClN3O2S/c9-7-2-1-5(12(13)14)3-6(7)8-4-15-11-10-8/h1-4H
InChIKeyFNLAJPWVFZGBJA-UHFFFAOYSA-N
XLogP2.77
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.66
LogP ≤ 52.77
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-nitrophenyl)thiadiazole?
The IUPAC name of 4-(2-chloro-5-nitrophenyl)thiadiazole (CID 90964903) is 4-(2-chloro-5-nitrophenyl)thiadiazole.
What is the SMILES notation for 4-(2-chloro-5-nitrophenyl)thiadiazole?
The canonical SMILES for 4-(2-chloro-5-nitrophenyl)thiadiazole is O=[N+]([O-])c1ccc(Cl)c(-c2csnn2)c1.
What is the InChIKey of 4-(2-chloro-5-nitrophenyl)thiadiazole?
The InChIKey is FNLAJPWVFZGBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3O2S/c9-7-2-1-5(12(13)14)3-6(7)8-4-15-11-10-8/h1-4H.
What are the key properties of 4-(2-chloro-5-nitrophenyl)thiadiazole?
4-(2-chloro-5-nitrophenyl)thiadiazole has a molecular weight of 241.66 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-nitrophenyl)thiadiazole is sourced from PubChem (CID 90964903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).