1,3-benzothiazole;1,2,3-benzoxadiazole

C13H9N3OS — CID 175568025

IUPAC1,3-benzothiazole;1,2,3-benzoxadiazole
SMILESc1ccc2onnc2c1.c1ccc2scnc2c1
InChIInChI=1S/C7H5NS.C6H4N2O/c1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5(3-1)7-8-9-6/h1-5H;1-4H
InChIKeyJVJQJNSXSDTTIK-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.52
Rot. Bonds

About 1,3-benzothiazole;1,2,3-benzoxadiazole

1,3-benzothiazole;1,2,3-benzoxadiazole (PubChem CID 175568025) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is 1,3-benzothiazole;1,2,3-benzoxadiazole.

Molecular Properties

Compound Name1,3-benzothiazole;1,2,3-benzoxadiazole
PubChem CID175568025
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC Name1,3-benzothiazole;1,2,3-benzoxadiazole
SMILESc1ccc2onnc2c1.c1ccc2scnc2c1
InChIInChI=1S/C7H5NS.C6H4N2O/c1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5(3-1)7-8-9-6/h1-5H;1-4H
InChIKeyJVJQJNSXSDTTIK-UHFFFAOYSA-N
XLogP3.52
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazole;1,2,3-benzoxadiazole?
The IUPAC name of 1,3-benzothiazole;1,2,3-benzoxadiazole (CID 175568025) is 1,3-benzothiazole;1,2,3-benzoxadiazole.
What is the SMILES notation for 1,3-benzothiazole;1,2,3-benzoxadiazole?
The canonical SMILES for 1,3-benzothiazole;1,2,3-benzoxadiazole is c1ccc2onnc2c1.c1ccc2scnc2c1.
What is the InChIKey of 1,3-benzothiazole;1,2,3-benzoxadiazole?
The InChIKey is JVJQJNSXSDTTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS.C6H4N2O/c1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5(3-1)7-8-9-6/h1-5H;1-4H.
What are the key properties of 1,3-benzothiazole;1,2,3-benzoxadiazole?
1,3-benzothiazole;1,2,3-benzoxadiazole has a molecular weight of 255.30 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazole;1,2,3-benzoxadiazole is sourced from PubChem (CID 175568025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).