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

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Related Compounds

5-(2,4-dimethylphenyl)-3-iodo-1,2,4-thiadiazole
CID 102943757
3-chloro-5-(2,4-difluoro-5-methylphenyl)-1,2,4-thiadiazole
CID 102943957
2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol
CID 116889620
5-bromo-2-(2,4-dimethylphenyl)-1,3-thiazol-4-amine
CID 116864287
5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole
CID 102944127
4-chloro-2-(2,4-dimethylphenyl)-1,3-benzothiazole
CID 95910467
2-chloro-4-(2,4-dimethylphenyl)quinazoline
CID 170033242
4-chloro-6-(2,4-dimethylphenyl)pyrimidin-2-amine
CID 141218795
3-chloro-5-(2,5-dimethylpyrazol-3-yl)-1,2,4-thiadiazole
CID 102944059
2,4,6-tris(2,4-dimethylphenyl)-5H-pyrimidin-5-ide;vanadium
CID 58604237
3-(2,4-dimethylphenyl)-5-[4-(2,4-dimethylphenyl)-5-methylthiophen-2-yl]-2-methylthiophene
CID 59167091
N-(2,6-dichlorophenyl)-4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 126055034

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).