5-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanyl-1,2,4-thiadiazole

C10H14N2S2 — CID 58610434

IUPAC5-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanyl-1,2,4-thiadiazole
SMILESCSc1nsc(C2CC3CCC2C3)n1
InChIInChI=1S/C10H14N2S2/c1-13-10-11-9(14-12-10)8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3
InChIKeyDIYQEKLTKPPCAG-UHFFFAOYSA-N
MW226.37 g/mol
LogP3.16
Rot. Bonds2

About 5-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanyl-1,2,4-thiadiazole

5-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanyl-1,2,4-thiadiazole (PubChem CID 58610434) has the molecular formula C10H14N2S2 and a molecular weight of 226.37 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanyl-1,2,4-thiadiazole
PubChem CID58610434
Molecular FormulaC10H14N2S2
Molecular Weight226.37 g/mol
Exact Mass226.06
IUPAC Name5-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanyl-1,2,4-thiadiazole
SMILESCSc1nsc(C2CC3CCC2C3)n1
InChIInChI=1S/C10H14N2S2/c1-13-10-11-9(14-12-10)8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3
InChIKeyDIYQEKLTKPPCAG-UHFFFAOYSA-N
XLogP3.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanyl-1,2,4-thiadiazole?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanyl-1,2,4-thiadiazole (CID 58610434) is 5-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanyl-1,2,4-thiadiazole is CSc1nsc(C2CC3CCC2C3)n1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanyl-1,2,4-thiadiazole?
The InChIKey is DIYQEKLTKPPCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S2/c1-13-10-11-9(14-12-10)8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3.
What are the key properties of 5-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanyl-1,2,4-thiadiazole?
5-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanyl-1,2,4-thiadiazole has a molecular weight of 226.37 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanyl)-3-methylsulfanyl-1,2,4-thiadiazole is sourced from PubChem (CID 58610434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).