5-cyclohexyl-3-cyclopropyl-1,2,4-thiadiazole

C11H16N2S — CID 145374393

IUPAC5-cyclohexyl-3-cyclopropyl-1,2,4-thiadiazole
SMILESC1CCC(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C11H16N2S/c1-2-4-9(5-3-1)11-12-10(13-14-11)8-6-7-8/h8-9H,1-7H2
InChIKeyYKJJCLHNHZEFHK-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.46
Rot. Bonds2

About 5-cyclohexyl-3-cyclopropyl-1,2,4-thiadiazole

5-cyclohexyl-3-cyclopropyl-1,2,4-thiadiazole (PubChem CID 145374393) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 5-cyclohexyl-3-cyclopropyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-cyclohexyl-3-cyclopropyl-1,2,4-thiadiazole
PubChem CID145374393
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name5-cyclohexyl-3-cyclopropyl-1,2,4-thiadiazole
SMILESC1CCC(c2nc(C3CC3)ns2)CC1
InChIInChI=1S/C11H16N2S/c1-2-4-9(5-3-1)11-12-10(13-14-11)8-6-7-8/h8-9H,1-7H2
InChIKeyYKJJCLHNHZEFHK-UHFFFAOYSA-N
XLogP3.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-cyclopropyl-1,2,4-thiadiazole?
The IUPAC name of 5-cyclohexyl-3-cyclopropyl-1,2,4-thiadiazole (CID 145374393) is 5-cyclohexyl-3-cyclopropyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-cyclohexyl-3-cyclopropyl-1,2,4-thiadiazole?
The canonical SMILES for 5-cyclohexyl-3-cyclopropyl-1,2,4-thiadiazole is C1CCC(c2nc(C3CC3)ns2)CC1.
What is the InChIKey of 5-cyclohexyl-3-cyclopropyl-1,2,4-thiadiazole?
The InChIKey is YKJJCLHNHZEFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-2-4-9(5-3-1)11-12-10(13-14-11)8-6-7-8/h8-9H,1-7H2.
What are the key properties of 5-cyclohexyl-3-cyclopropyl-1,2,4-thiadiazole?
5-cyclohexyl-3-cyclopropyl-1,2,4-thiadiazole has a molecular weight of 208.33 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-cyclopropyl-1,2,4-thiadiazole is sourced from PubChem (CID 145374393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).