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

C10H16N2S — CID 58610419

IUPAC5-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(CC2CCCCC2)n1
InChIInChI=1S/C10H16N2S/c1-8-11-10(13-12-8)7-9-5-3-2-4-6-9/h9H,2-7H2,1H3
InChIKeyZAQVEMOUCKZVCP-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.97
Rot. Bonds2

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

5-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazole (PubChem CID 58610419) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazole
PubChem CID58610419
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name5-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(CC2CCCCC2)n1
InChIInChI=1S/C10H16N2S/c1-8-11-10(13-12-8)7-9-5-3-2-4-6-9/h9H,2-7H2,1H3
InChIKeyZAQVEMOUCKZVCP-UHFFFAOYSA-N
XLogP2.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazole (CID 58610419) is 5-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazole is Cc1nsc(CC2CCCCC2)n1.
What is the InChIKey of 5-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazole?
The InChIKey is ZAQVEMOUCKZVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-8-11-10(13-12-8)7-9-5-3-2-4-6-9/h9H,2-7H2,1H3.
What are the key properties of 5-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazole?
5-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazole has a molecular weight of 196.32 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 58610419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).