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

C11H18N2S — CID 58610415

IUPAC5-(3-ethylcyclohexyl)-3-methyl-1,2,4-thiadiazole
SMILESCCC1CCCC(c2nc(C)ns2)C1
InChIInChI=1S/C11H18N2S/c1-3-9-5-4-6-10(7-9)11-12-8(2)13-14-11/h9-10H,3-7H2,1-2H3
InChIKeyHOZSVQPJGKXRDC-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.53
Rot. Bonds2

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

5-(3-ethylcyclohexyl)-3-methyl-1,2,4-thiadiazole (PubChem CID 58610415) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 5-(3-ethylcyclohexyl)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-ethylcyclohexyl)-3-methyl-1,2,4-thiadiazole
PubChem CID58610415
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name5-(3-ethylcyclohexyl)-3-methyl-1,2,4-thiadiazole
SMILESCCC1CCCC(c2nc(C)ns2)C1
InChIInChI=1S/C11H18N2S/c1-3-9-5-4-6-10(7-9)11-12-8(2)13-14-11/h9-10H,3-7H2,1-2H3
InChIKeyHOZSVQPJGKXRDC-UHFFFAOYSA-N
XLogP3.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylcyclohexyl)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3-ethylcyclohexyl)-3-methyl-1,2,4-thiadiazole (CID 58610415) is 5-(3-ethylcyclohexyl)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-ethylcyclohexyl)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-ethylcyclohexyl)-3-methyl-1,2,4-thiadiazole is CCC1CCCC(c2nc(C)ns2)C1.
What is the InChIKey of 5-(3-ethylcyclohexyl)-3-methyl-1,2,4-thiadiazole?
The InChIKey is HOZSVQPJGKXRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-3-9-5-4-6-10(7-9)11-12-8(2)13-14-11/h9-10H,3-7H2,1-2H3.
What are the key properties of 5-(3-ethylcyclohexyl)-3-methyl-1,2,4-thiadiazole?
5-(3-ethylcyclohexyl)-3-methyl-1,2,4-thiadiazole has a molecular weight of 210.35 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylcyclohexyl)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 58610415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).