4-(4-methylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole

C15H10N2S3 — CID 91056962

IUPAC4-(4-methylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole
SMILESCc1csc(-c2ccc(-c3cccs3)c3nsnc23)c1
InChIInChI=1S/C15H10N2S3/c1-9-7-13(19-8-9)11-5-4-10(12-3-2-6-18-12)14-15(11)17-20-16-14/h2-8H,1H3
InChIKeyTXSOURDQVGHMLT-UHFFFAOYSA-N
MW314.46 g/mol
LogP5.46
Rot. Bonds2

About 4-(4-methylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole

4-(4-methylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole (PubChem CID 91056962) has the molecular formula C15H10N2S3 and a molecular weight of 314.46 g/mol. Its IUPAC name is 4-(4-methylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-(4-methylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole
PubChem CID91056962
Molecular FormulaC15H10N2S3
Molecular Weight314.46 g/mol
Exact Mass314.00
IUPAC Name4-(4-methylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole
SMILESCc1csc(-c2ccc(-c3cccs3)c3nsnc23)c1
InChIInChI=1S/C15H10N2S3/c1-9-7-13(19-8-9)11-5-4-10(12-3-2-6-18-12)14-15(11)17-20-16-14/h2-8H,1H3
InChIKeyTXSOURDQVGHMLT-UHFFFAOYSA-N
XLogP5.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.46
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-methylthiophen-2-yl)-7-thiophen-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

Related Compounds

4-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole
CID 102262732
2-(2,4-dimethylphenyl)thiophene
CID 12781163
N,N-diphenyl-4-(7-phenyl-2,1,3-benzothiadiazol-4-yl)aniline;N,N-diphenyl-4-(4-thiophen-2-yl-2,1,3-benzothiadiazol-7-yl)aniline
CID 158787180
6,7-dimethyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 50992957
4,9-dimethyl-6,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 164741343
N-phenyl-N-[4-(7-phenyl-2,1,3-benzothiadiazol-4-yl)phenyl]-3-[3-(N-[4-(4-thiophen-2-yl-2,1,3-benzothiadiazol-7-yl)phenyl]anilino)phenyl]aniline
CID 138468981
4-bromo-5-fluoro-7-thiophen-2-yl-2,1,3-benzothiadiazole;4,7-dibromo-5-fluoro-2,1,3-benzothiadiazole;trimethyl(thiophen-2-yl)stannane
CID 159748656
4-[5-[2-(2-methoxyethoxy)ethoxy]thiophen-2-yl]-7-thiophen-2-yl-2,1,3-benzothiadiazole
CID 118150181
5-fluoro-6-methyl-4-thiophen-2-yl-2,1,3-benzothiadiazole
CID 170016732
7-thiophen-2-yl-4-[5-(4H-triazol-4-yl)thiophen-2-yl]-2,1,3-benzothiadiazole
CID 126559670
5-chloro-7-[4-(2-ethylhexyl)thiophen-2-yl]-4-thiophen-2-yl-2,1,3-benzothiadiazole
CID 137481361
5,10-bis(4-methylthiophen-2-yl)-[2,1,3]benzoselenadiazolo[7,6-g][2,1,3]benzoselenadiazole
CID 122388286

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole?
The IUPAC name of 4-(4-methylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole (CID 91056962) is 4-(4-methylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-(4-methylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole?
The canonical SMILES for 4-(4-methylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole is Cc1csc(-c2ccc(-c3cccs3)c3nsnc23)c1.
What is the InChIKey of 4-(4-methylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole?
The InChIKey is TXSOURDQVGHMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2S3/c1-9-7-13(19-8-9)11-5-4-10(12-3-2-6-18-12)14-15(11)17-20-16-14/h2-8H,1H3.
What are the key properties of 4-(4-methylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole?
4-(4-methylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole has a molecular weight of 314.46 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylthiophen-2-yl)-7-thiophen-2-yl-2,1,3-benzothiadiazole is sourced from PubChem (CID 91056962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).