5-(2-methoxyphenyl)-2,1,3-benzothiadiazole

C13H10N2OS — CID 58838897

IUPAC5-(2-methoxyphenyl)-2,1,3-benzothiadiazole
SMILESCOc1ccccc1-c1ccc2nsnc2c1
InChIInChI=1S/C13H10N2OS/c1-16-13-5-3-2-4-10(13)9-6-7-11-12(8-9)15-17-14-11/h2-8H,1H3
InChIKeyJCGJZQFFAIGNRX-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.37
Rot. Bonds2

About 5-(2-methoxyphenyl)-2,1,3-benzothiadiazole

5-(2-methoxyphenyl)-2,1,3-benzothiadiazole (PubChem CID 58838897) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-2,1,3-benzothiadiazole
PubChem CID58838897
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name5-(2-methoxyphenyl)-2,1,3-benzothiadiazole
SMILESCOc1ccccc1-c1ccc2nsnc2c1
InChIInChI=1S/C13H10N2OS/c1-16-13-5-3-2-4-10(13)9-6-7-11-12(8-9)15-17-14-11/h2-8H,1H3
InChIKeyJCGJZQFFAIGNRX-UHFFFAOYSA-N
XLogP3.37
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-2,1,3-benzothiadiazole?
The IUPAC name of 5-(2-methoxyphenyl)-2,1,3-benzothiadiazole (CID 58838897) is 5-(2-methoxyphenyl)-2,1,3-benzothiadiazole.
What is the SMILES notation for 5-(2-methoxyphenyl)-2,1,3-benzothiadiazole?
The canonical SMILES for 5-(2-methoxyphenyl)-2,1,3-benzothiadiazole is COc1ccccc1-c1ccc2nsnc2c1.
What is the InChIKey of 5-(2-methoxyphenyl)-2,1,3-benzothiadiazole?
The InChIKey is JCGJZQFFAIGNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-16-13-5-3-2-4-10(13)9-6-7-11-12(8-9)15-17-14-11/h2-8H,1H3.
What are the key properties of 5-(2-methoxyphenyl)-2,1,3-benzothiadiazole?
5-(2-methoxyphenyl)-2,1,3-benzothiadiazole has a molecular weight of 242.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-2,1,3-benzothiadiazole is sourced from PubChem (CID 58838897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).