4-(4,5-dimethylthiophen-2-yl)-7-methyl-2,1,3-benzothiadiazole

C13H12N2S2 — CID 164763911

IUPAC4-(4,5-dimethylthiophen-2-yl)-7-methyl-2,1,3-benzothiadiazole
SMILESCc1cc(-c2ccc(C)c3nsnc23)sc1C
InChIInChI=1S/C13H12N2S2/c1-7-4-5-10(13-12(7)14-17-15-13)11-6-8(2)9(3)16-11/h4-6H,1-3H3
InChIKeyZAGIXUDQJQLAJN-UHFFFAOYSA-N
MW260.39 g/mol
LogP4.35
Rot. Bonds1

About 4-(4,5-dimethylthiophen-2-yl)-7-methyl-2,1,3-benzothiadiazole

4-(4,5-dimethylthiophen-2-yl)-7-methyl-2,1,3-benzothiadiazole (PubChem CID 164763911) has the molecular formula C13H12N2S2 and a molecular weight of 260.39 g/mol. Its IUPAC name is 4-(4,5-dimethylthiophen-2-yl)-7-methyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-(4,5-dimethylthiophen-2-yl)-7-methyl-2,1,3-benzothiadiazole
PubChem CID164763911
Molecular FormulaC13H12N2S2
Molecular Weight260.39 g/mol
Exact Mass260.04
IUPAC Name4-(4,5-dimethylthiophen-2-yl)-7-methyl-2,1,3-benzothiadiazole
SMILESCc1cc(-c2ccc(C)c3nsnc23)sc1C
InChIInChI=1S/C13H12N2S2/c1-7-4-5-10(13-12(7)14-17-15-13)11-6-8(2)9(3)16-11/h4-6H,1-3H3
InChIKeyZAGIXUDQJQLAJN-UHFFFAOYSA-N
XLogP4.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4,5-dimethylthiophen-2-yl)-4-methylthiophen-2-yl]-7-methyl-2,1,3-benzothiadiazole
CID 164763910
7-methyl-4-[5-(7-methyl-2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]-2,1,3-benzothiadiazole
CID 129180998
4-[3,4-dimethyl-5-(7-methyl-2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]-7-methyl-2,1,3-benzothiadiazole
CID 91614717
4,7-dimethyl-2,1,3-benzothiadiazole;ethane
CID 144533548
4,7-bis[5-[3-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole
CID 164763916
4,7-bis[5-(2-methylphenyl)thiophen-2-yl]-2,1,3-benzothiadiazole
CID 58610797
bis(4,7-bis(4,5-dimethylthiophen-2-yl)-2,1,3-benzothiadiazole);4,7-bis[4-methyl-5-(5-methylthiophen-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4,7-dimethyl-2,1,3-benzothiadiazole;bis(2,7,9,9-tetramethylfluorene)
CID 158529434
4-[4-hexyl-5-[4-hexyl-5-[3-hexyl-5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7-methyl-2,1,3-benzothiadiazole
CID 58121547
4-anthracen-9-yl-7-methyl-2,1,3-benzothiadiazole
CID 148532013
7-methyl-4-(7-methyl-9H-carbazol-2-yl)-2,1,3-benzothiadiazole
CID 122519712
7-(4,5-dimethylthiophen-2-yl)-4-[5-(10-methoxy-3,3,14,14,17,21-hexamethyl-7,18-dithiahexacyclo[10.10.0.02,9.04,8.013,20.015,19]docosa-1,4(8),5,9,11,13(20),15(19),16,21-nonaen-6-yl)-4-methylthiophen-2-yl]-2,1,3-benzothiadiazole
CID 121383807
4-(4-hexyl-5-methylthiophen-2-yl)-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole
CID 147935099

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylthiophen-2-yl)-7-methyl-2,1,3-benzothiadiazole?
The IUPAC name of 4-(4,5-dimethylthiophen-2-yl)-7-methyl-2,1,3-benzothiadiazole (CID 164763911) is 4-(4,5-dimethylthiophen-2-yl)-7-methyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-(4,5-dimethylthiophen-2-yl)-7-methyl-2,1,3-benzothiadiazole?
The canonical SMILES for 4-(4,5-dimethylthiophen-2-yl)-7-methyl-2,1,3-benzothiadiazole is Cc1cc(-c2ccc(C)c3nsnc23)sc1C.
What is the InChIKey of 4-(4,5-dimethylthiophen-2-yl)-7-methyl-2,1,3-benzothiadiazole?
The InChIKey is ZAGIXUDQJQLAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S2/c1-7-4-5-10(13-12(7)14-17-15-13)11-6-8(2)9(3)16-11/h4-6H,1-3H3.
What are the key properties of 4-(4,5-dimethylthiophen-2-yl)-7-methyl-2,1,3-benzothiadiazole?
4-(4,5-dimethylthiophen-2-yl)-7-methyl-2,1,3-benzothiadiazole has a molecular weight of 260.39 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylthiophen-2-yl)-7-methyl-2,1,3-benzothiadiazole is sourced from PubChem (CID 164763911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).