5,6-difluoro-7-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole

C11H6F2N2S2 — CID 135043468

IUPAC5,6-difluoro-7-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole
SMILESCc1c(F)c(F)c(-c2cccs2)c2nsnc12
InChIInChI=1S/C11H6F2N2S2/c1-5-8(12)9(13)7(6-3-2-4-16-6)11-10(5)14-17-15-11/h2-4H,1H3
InChIKeyHGZLTUFDNOKJEZ-UHFFFAOYSA-N
MW268.31 g/mol
LogP4.01
Rot. Bonds1

About 5,6-difluoro-7-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole

5,6-difluoro-7-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole (PubChem CID 135043468) has the molecular formula C11H6F2N2S2 and a molecular weight of 268.31 g/mol. Its IUPAC name is 5,6-difluoro-7-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name5,6-difluoro-7-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole
PubChem CID135043468
Molecular FormulaC11H6F2N2S2
Molecular Weight268.31 g/mol
Exact Mass267.99
IUPAC Name5,6-difluoro-7-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole
SMILESCc1c(F)c(F)c(-c2cccs2)c2nsnc12
InChIInChI=1S/C11H6F2N2S2/c1-5-8(12)9(13)7(6-3-2-4-16-6)11-10(5)14-17-15-11/h2-4H,1H3
InChIKeyHGZLTUFDNOKJEZ-UHFFFAOYSA-N
XLogP4.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-7-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole?
The IUPAC name of 5,6-difluoro-7-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole (CID 135043468) is 5,6-difluoro-7-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole.
What is the SMILES notation for 5,6-difluoro-7-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole?
The canonical SMILES for 5,6-difluoro-7-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole is Cc1c(F)c(F)c(-c2cccs2)c2nsnc12.
What is the InChIKey of 5,6-difluoro-7-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole?
The InChIKey is HGZLTUFDNOKJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N2S2/c1-5-8(12)9(13)7(6-3-2-4-16-6)11-10(5)14-17-15-11/h2-4H,1H3.
What are the key properties of 5,6-difluoro-7-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole?
5,6-difluoro-7-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole has a molecular weight of 268.31 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-7-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole is sourced from PubChem (CID 135043468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).