4,5,6,7-tetramethyl-2,1,3-benzothiadiazole

C10H12N2S — CID 600982

IUPAC4,5,6,7-tetramethyl-2,1,3-benzothiadiazole
SMILESCc1c(C)c(C)c2nsnc2c1C
InChIInChI=1S/C10H12N2S/c1-5-6(2)8(4)10-9(7(5)3)11-13-12-10/h1-4H3
InChIKeySPDOODVVIKUTCF-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.92
Rot. Bonds

About 4,5,6,7-tetramethyl-2,1,3-benzothiadiazole

4,5,6,7-tetramethyl-2,1,3-benzothiadiazole (PubChem CID 600982) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 4,5,6,7-tetramethyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4,5,6,7-tetramethyl-2,1,3-benzothiadiazole
PubChem CID600982
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name4,5,6,7-tetramethyl-2,1,3-benzothiadiazole
SMILESCc1c(C)c(C)c2nsnc2c1C
InChIInChI=1S/C10H12N2S/c1-5-6(2)8(4)10-9(7(5)3)11-13-12-10/h1-4H3
InChIKeySPDOODVVIKUTCF-UHFFFAOYSA-N
XLogP2.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,5,6,7-tetramethyl-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 4,5,6,7-tetramethyl-2,1,3-benzothiadiazole?
The IUPAC name of 4,5,6,7-tetramethyl-2,1,3-benzothiadiazole (CID 600982) is 4,5,6,7-tetramethyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 4,5,6,7-tetramethyl-2,1,3-benzothiadiazole?
The canonical SMILES for 4,5,6,7-tetramethyl-2,1,3-benzothiadiazole is Cc1c(C)c(C)c2nsnc2c1C.
What is the InChIKey of 4,5,6,7-tetramethyl-2,1,3-benzothiadiazole?
The InChIKey is SPDOODVVIKUTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-5-6(2)8(4)10-9(7(5)3)11-13-12-10/h1-4H3.
What are the key properties of 4,5,6,7-tetramethyl-2,1,3-benzothiadiazole?
4,5,6,7-tetramethyl-2,1,3-benzothiadiazole has a molecular weight of 192.29 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetramethyl-2,1,3-benzothiadiazole is sourced from PubChem (CID 600982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).