4-methyl-[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole

C7H4N4S2 — CID 821497

IUPAC4-methyl-[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole
SMILESCc1cc2nsnc2c2nsnc12
InChIInChI=1S/C7H4N4S2/c1-3-2-4-6(10-12-8-4)7-5(3)9-13-11-7/h2H,1H3
InChIKeyXDDZFQNDSCVUES-UHFFFAOYSA-N
MW208.27 g/mol
LogP2.00
Rot. Bonds

About 4-methyl-[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole

4-methyl-[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole (PubChem CID 821497) has the molecular formula C7H4N4S2 and a molecular weight of 208.27 g/mol. Its IUPAC name is 4-methyl-[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole.

Molecular Properties

Compound Name4-methyl-[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole
PubChem CID821497
Molecular FormulaC7H4N4S2
Molecular Weight208.27 g/mol
Exact Mass207.99
IUPAC Name4-methyl-[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole
SMILESCc1cc2nsnc2c2nsnc12
InChIInChI=1S/C7H4N4S2/c1-3-2-4-6(10-12-8-4)7-5(3)9-13-11-7/h2H,1H3
InChIKeyXDDZFQNDSCVUES-UHFFFAOYSA-N
XLogP2.00
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-[1,2,5]thiadiazolo[3,4-e][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-methyl-[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole?
The IUPAC name of 4-methyl-[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole (CID 821497) is 4-methyl-[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole.
What is the SMILES notation for 4-methyl-[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole?
The canonical SMILES for 4-methyl-[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole is Cc1cc2nsnc2c2nsnc12.
What is the InChIKey of 4-methyl-[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole?
The InChIKey is XDDZFQNDSCVUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4S2/c1-3-2-4-6(10-12-8-4)7-5(3)9-13-11-7/h2H,1H3.
What are the key properties of 4-methyl-[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole?
4-methyl-[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole has a molecular weight of 208.27 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole is sourced from PubChem (CID 821497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).