3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole

C10H9ClN2S — CID 102944087

IUPAC3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole
SMILESCc1ccc(-c2nc(Cl)ns2)c(C)c1
InChIInChI=1S/C10H9ClN2S/c1-6-3-4-8(7(2)5-6)9-12-10(11)13-14-9/h3-5H,1-2H3
InChIKeyWHZCOJLQFLHBJS-UHFFFAOYSA-N
MW224.72 g/mol
LogP3.48
Rot. Bonds1

About 3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole

3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole (PubChem CID 102944087) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole
PubChem CID102944087
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole
SMILESCc1ccc(-c2nc(Cl)ns2)c(C)c1
InChIInChI=1S/C10H9ClN2S/c1-6-3-4-8(7(2)5-6)9-12-10(11)13-14-9/h3-5H,1-2H3
InChIKeyWHZCOJLQFLHBJS-UHFFFAOYSA-N
XLogP3.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-(2,4-dimethylphenyl)-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 3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole?
The IUPAC name of 3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole (CID 102944087) is 3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole is Cc1ccc(-c2nc(Cl)ns2)c(C)c1.
What is the InChIKey of 3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole?
The InChIKey is WHZCOJLQFLHBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c1-6-3-4-8(7(2)5-6)9-12-10(11)13-14-9/h3-5H,1-2H3.
What are the key properties of 3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole?
3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole has a molecular weight of 224.72 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102944087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).