5-(thiophen-2-ylsulfanylmethyl)-2,1,3-benzoxadiazole

C11H8N2OS2 — CID 2821722

IUPAC5-(thiophen-2-ylsulfanylmethyl)-2,1,3-benzoxadiazole
SMILESc1csc(SCc2ccc3nonc3c2)c1
InChIInChI=1S/C11H8N2OS2/c1-2-11(15-5-1)16-7-8-3-4-9-10(6-8)13-14-12-9/h1-6H,7H2
InChIKeyNDJXXSNXZJZDSY-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.58
Rot. Bonds3

About 5-(thiophen-2-ylsulfanylmethyl)-2,1,3-benzoxadiazole

5-(thiophen-2-ylsulfanylmethyl)-2,1,3-benzoxadiazole (PubChem CID 2821722) has the molecular formula C11H8N2OS2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(thiophen-2-ylsulfanylmethyl)-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name5-(thiophen-2-ylsulfanylmethyl)-2,1,3-benzoxadiazole
PubChem CID2821722
Molecular FormulaC11H8N2OS2
Molecular Weight248.33 g/mol
Exact Mass248.01
IUPAC Name5-(thiophen-2-ylsulfanylmethyl)-2,1,3-benzoxadiazole
SMILESc1csc(SCc2ccc3nonc3c2)c1
InChIInChI=1S/C11H8N2OS2/c1-2-11(15-5-1)16-7-8-3-4-9-10(6-8)13-14-12-9/h1-6H,7H2
InChIKeyNDJXXSNXZJZDSY-UHFFFAOYSA-N
XLogP3.58
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(thiophen-2-ylsulfanylmethyl)-2,1,3-benzoxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-2-ylsulfanylmethyl)-2,1,3-benzoxadiazole?
The IUPAC name of 5-(thiophen-2-ylsulfanylmethyl)-2,1,3-benzoxadiazole (CID 2821722) is 5-(thiophen-2-ylsulfanylmethyl)-2,1,3-benzoxadiazole.
What is the SMILES notation for 5-(thiophen-2-ylsulfanylmethyl)-2,1,3-benzoxadiazole?
The canonical SMILES for 5-(thiophen-2-ylsulfanylmethyl)-2,1,3-benzoxadiazole is c1csc(SCc2ccc3nonc3c2)c1.
What is the InChIKey of 5-(thiophen-2-ylsulfanylmethyl)-2,1,3-benzoxadiazole?
The InChIKey is NDJXXSNXZJZDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS2/c1-2-11(15-5-1)16-7-8-3-4-9-10(6-8)13-14-12-9/h1-6H,7H2.
What are the key properties of 5-(thiophen-2-ylsulfanylmethyl)-2,1,3-benzoxadiazole?
5-(thiophen-2-ylsulfanylmethyl)-2,1,3-benzoxadiazole has a molecular weight of 248.33 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-2-ylsulfanylmethyl)-2,1,3-benzoxadiazole is sourced from PubChem (CID 2821722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).