5-(3-ethylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole

C11H18N2S2 — CID 58610416

IUPAC5-(3-ethylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole
SMILESCCC1CCCC(c2nc(SC)ns2)C1
InChIInChI=1S/C11H18N2S2/c1-3-8-5-4-6-9(7-8)10-12-11(14-2)13-15-10/h8-9H,3-7H2,1-2H3
InChIKeyCQOUWBHMAOIWEA-UHFFFAOYSA-N
MW242.41 g/mol
LogP3.94
Rot. Bonds3

About 5-(3-ethylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole

5-(3-ethylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole (PubChem CID 58610416) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 5-(3-ethylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-ethylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole
PubChem CID58610416
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name5-(3-ethylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole
SMILESCCC1CCCC(c2nc(SC)ns2)C1
InChIInChI=1S/C11H18N2S2/c1-3-8-5-4-6-9(7-8)10-12-11(14-2)13-15-10/h8-9H,3-7H2,1-2H3
InChIKeyCQOUWBHMAOIWEA-UHFFFAOYSA-N
XLogP3.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3-ethylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole (CID 58610416) is 5-(3-ethylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-ethylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-ethylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole is CCC1CCCC(c2nc(SC)ns2)C1.
What is the InChIKey of 5-(3-ethylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole?
The InChIKey is CQOUWBHMAOIWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-3-8-5-4-6-9(7-8)10-12-11(14-2)13-15-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-(3-ethylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole?
5-(3-ethylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole has a molecular weight of 242.41 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole is sourced from PubChem (CID 58610416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).