4-(1-benzothiophen-2-yl)-2,1,3-benzothiadiazole

C14H8N2S2 — CID 134969499

IUPAC4-(1-benzothiophen-2-yl)-2,1,3-benzothiadiazole
SMILESc1ccc2sc(-c3cccc4nsnc34)cc2c1
InChIInChI=1S/C14H8N2S2/c1-2-7-12-9(4-1)8-13(17-12)10-5-3-6-11-14(10)16-18-15-11/h1-8H
InChIKeyORALGIGFSUMPRE-UHFFFAOYSA-N
MW268.37 g/mol
LogP4.57
Rot. Bonds1

About 4-(1-benzothiophen-2-yl)-2,1,3-benzothiadiazole

4-(1-benzothiophen-2-yl)-2,1,3-benzothiadiazole (PubChem CID 134969499) has the molecular formula C14H8N2S2 and a molecular weight of 268.37 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-yl)-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-(1-benzothiophen-2-yl)-2,1,3-benzothiadiazole
PubChem CID134969499
Molecular FormulaC14H8N2S2
Molecular Weight268.37 g/mol
Exact Mass268.01
IUPAC Name4-(1-benzothiophen-2-yl)-2,1,3-benzothiadiazole
SMILESc1ccc2sc(-c3cccc4nsnc34)cc2c1
InChIInChI=1S/C14H8N2S2/c1-2-7-12-9(4-1)8-13(17-12)10-5-3-6-11-14(10)16-18-15-11/h1-8H
InChIKeyORALGIGFSUMPRE-UHFFFAOYSA-N
XLogP4.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1-benzothiophen-2-yl)-2,1,3-benzothiadiazole 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 4-(1-benzothiophen-2-yl)-2,1,3-benzothiadiazole?
The IUPAC name of 4-(1-benzothiophen-2-yl)-2,1,3-benzothiadiazole (CID 134969499) is 4-(1-benzothiophen-2-yl)-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-(1-benzothiophen-2-yl)-2,1,3-benzothiadiazole?
The canonical SMILES for 4-(1-benzothiophen-2-yl)-2,1,3-benzothiadiazole is c1ccc2sc(-c3cccc4nsnc34)cc2c1.
What is the InChIKey of 4-(1-benzothiophen-2-yl)-2,1,3-benzothiadiazole?
The InChIKey is ORALGIGFSUMPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2S2/c1-2-7-12-9(4-1)8-13(17-12)10-5-3-6-11-14(10)16-18-15-11/h1-8H.
What are the key properties of 4-(1-benzothiophen-2-yl)-2,1,3-benzothiadiazole?
4-(1-benzothiophen-2-yl)-2,1,3-benzothiadiazole has a molecular weight of 268.37 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-yl)-2,1,3-benzothiadiazole is sourced from PubChem (CID 134969499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).