4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole

C11H8N2S2 — CID 58003959

IUPAC4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole
SMILESCc1ccc(-c2cccc3nsnc23)s1
InChIInChI=1S/C11H8N2S2/c1-7-5-6-10(14-7)8-3-2-4-9-11(8)13-15-12-9/h2-6H,1H3
InChIKeyUFEVBOJMICSNCB-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.73
Rot. Bonds1

About 4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole

4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole (PubChem CID 58003959) has the molecular formula C11H8N2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole
PubChem CID58003959
Molecular FormulaC11H8N2S2
Molecular Weight232.33 g/mol
Exact Mass232.01
IUPAC Name4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole
SMILESCc1ccc(-c2cccc3nsnc23)s1
InChIInChI=1S/C11H8N2S2/c1-7-5-6-10(14-7)8-3-2-4-9-11(8)13-15-12-9/h2-6H,1H3
InChIKeyUFEVBOJMICSNCB-UHFFFAOYSA-N
XLogP3.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole?
The IUPAC name of 4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole (CID 58003959) is 4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole is Cc1ccc(-c2cccc3nsnc23)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole?
The InChIKey is UFEVBOJMICSNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S2/c1-7-5-6-10(14-7)8-3-2-4-9-11(8)13-15-12-9/h2-6H,1H3.
What are the key properties of 4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole?
4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole has a molecular weight of 232.33 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole is sourced from PubChem (CID 58003959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).