5-(dichloromethyl)-3-methyl-1,2,4-thiadiazole

C4H4Cl2N2S — CID 23528319

IUPAC5-(dichloromethyl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(C(Cl)Cl)n1
InChIInChI=1S/C4H4Cl2N2S/c1-2-7-4(3(5)6)9-8-2/h3H,1H3
InChIKeyZVWPYIXAZAEMPG-UHFFFAOYSA-N
MW183.06 g/mol
LogP2.32
Rot. Bonds1

About 5-(dichloromethyl)-3-methyl-1,2,4-thiadiazole

5-(dichloromethyl)-3-methyl-1,2,4-thiadiazole (PubChem CID 23528319) has the molecular formula C4H4Cl2N2S and a molecular weight of 183.06 g/mol. Its IUPAC name is 5-(dichloromethyl)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(dichloromethyl)-3-methyl-1,2,4-thiadiazole
PubChem CID23528319
Molecular FormulaC4H4Cl2N2S
Molecular Weight183.06 g/mol
Exact Mass181.95
IUPAC Name5-(dichloromethyl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(C(Cl)Cl)n1
InChIInChI=1S/C4H4Cl2N2S/c1-2-7-4(3(5)6)9-8-2/h3H,1H3
InChIKeyZVWPYIXAZAEMPG-UHFFFAOYSA-N
XLogP2.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.06
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(dichloromethyl)-3-methyl-1,2,4-thiadiazole 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 5-(dichloromethyl)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(dichloromethyl)-3-methyl-1,2,4-thiadiazole (CID 23528319) is 5-(dichloromethyl)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(dichloromethyl)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(dichloromethyl)-3-methyl-1,2,4-thiadiazole is Cc1nsc(C(Cl)Cl)n1.
What is the InChIKey of 5-(dichloromethyl)-3-methyl-1,2,4-thiadiazole?
The InChIKey is ZVWPYIXAZAEMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Cl2N2S/c1-2-7-4(3(5)6)9-8-2/h3H,1H3.
What are the key properties of 5-(dichloromethyl)-3-methyl-1,2,4-thiadiazole?
5-(dichloromethyl)-3-methyl-1,2,4-thiadiazole has a molecular weight of 183.06 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dichloromethyl)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 23528319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).