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

C10H16N2S2 — CID 58610426

IUPAC5-(3-methylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole
SMILESCSc1nsc(C2CCCC(C)C2)n1
InChIInChI=1S/C10H16N2S2/c1-7-4-3-5-8(6-7)9-11-10(13-2)12-14-9/h7-8H,3-6H2,1-2H3
InChIKeyXPCFAWAHPYJVCB-UHFFFAOYSA-N
MW228.39 g/mol
LogP3.55
Rot. Bonds2

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

5-(3-methylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole (PubChem CID 58610426) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is 5-(3-methylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-methylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole
PubChem CID58610426
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC Name5-(3-methylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole
SMILESCSc1nsc(C2CCCC(C)C2)n1
InChIInChI=1S/C10H16N2S2/c1-7-4-3-5-8(6-7)9-11-10(13-2)12-14-9/h7-8H,3-6H2,1-2H3
InChIKeyXPCFAWAHPYJVCB-UHFFFAOYSA-N
XLogP3.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3-methylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole (CID 58610426) is 5-(3-methylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-methylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-methylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole is CSc1nsc(C2CCCC(C)C2)n1.
What is the InChIKey of 5-(3-methylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole?
The InChIKey is XPCFAWAHPYJVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-7-4-3-5-8(6-7)9-11-10(13-2)12-14-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 5-(3-methylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole?
5-(3-methylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole has a molecular weight of 228.39 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylcyclohexyl)-3-methylsulfanyl-1,2,4-thiadiazole is sourced from PubChem (CID 58610426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).