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

C11H11ClN2S — CID 65266633

IUPAC5-chloro-3-[(3,5-dimethylphenyl)methyl]-1,2,4-thiadiazole
SMILESCc1cc(C)cc(Cc2nsc(Cl)n2)c1
InChIInChI=1S/C11H11ClN2S/c1-7-3-8(2)5-9(4-7)6-10-13-11(12)15-14-10/h3-5H,6H2,1-2H3
InChIKeyYVGJOTJSLKZGMK-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.40
Rot. Bonds2

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

5-chloro-3-[(3,5-dimethylphenyl)methyl]-1,2,4-thiadiazole (PubChem CID 65266633) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 5-chloro-3-[(3,5-dimethylphenyl)methyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-[(3,5-dimethylphenyl)methyl]-1,2,4-thiadiazole
PubChem CID65266633
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name5-chloro-3-[(3,5-dimethylphenyl)methyl]-1,2,4-thiadiazole
SMILESCc1cc(C)cc(Cc2nsc(Cl)n2)c1
InChIInChI=1S/C11H11ClN2S/c1-7-3-8(2)5-9(4-7)6-10-13-11(12)15-14-10/h3-5H,6H2,1-2H3
InChIKeyYVGJOTJSLKZGMK-UHFFFAOYSA-N
XLogP3.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3,5-dimethylphenyl)methyl]-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-[(3,5-dimethylphenyl)methyl]-1,2,4-thiadiazole (CID 65266633) is 5-chloro-3-[(3,5-dimethylphenyl)methyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-[(3,5-dimethylphenyl)methyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-[(3,5-dimethylphenyl)methyl]-1,2,4-thiadiazole is Cc1cc(C)cc(Cc2nsc(Cl)n2)c1.
What is the InChIKey of 5-chloro-3-[(3,5-dimethylphenyl)methyl]-1,2,4-thiadiazole?
The InChIKey is YVGJOTJSLKZGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c1-7-3-8(2)5-9(4-7)6-10-13-11(12)15-14-10/h3-5H,6H2,1-2H3.
What are the key properties of 5-chloro-3-[(3,5-dimethylphenyl)methyl]-1,2,4-thiadiazole?
5-chloro-3-[(3,5-dimethylphenyl)methyl]-1,2,4-thiadiazole has a molecular weight of 238.74 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3,5-dimethylphenyl)methyl]-1,2,4-thiadiazole is sourced from PubChem (CID 65266633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).