5-cyclohexyloxy-3-methyl-1,2,4-thiadiazole

C9H14N2OS — CID 88984917

IUPAC5-cyclohexyloxy-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(OC2CCCCC2)n1
InChIInChI=1S/C9H14N2OS/c1-7-10-9(13-11-7)12-8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKeyNHBFYYQCZKZMOE-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.56
Rot. Bonds2

About 5-cyclohexyloxy-3-methyl-1,2,4-thiadiazole

5-cyclohexyloxy-3-methyl-1,2,4-thiadiazole (PubChem CID 88984917) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 5-cyclohexyloxy-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-cyclohexyloxy-3-methyl-1,2,4-thiadiazole
PubChem CID88984917
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name5-cyclohexyloxy-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(OC2CCCCC2)n1
InChIInChI=1S/C9H14N2OS/c1-7-10-9(13-11-7)12-8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKeyNHBFYYQCZKZMOE-UHFFFAOYSA-N
XLogP2.56
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyloxy-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-cyclohexyloxy-3-methyl-1,2,4-thiadiazole (CID 88984917) is 5-cyclohexyloxy-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-cyclohexyloxy-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-cyclohexyloxy-3-methyl-1,2,4-thiadiazole is Cc1nsc(OC2CCCCC2)n1.
What is the InChIKey of 5-cyclohexyloxy-3-methyl-1,2,4-thiadiazole?
The InChIKey is NHBFYYQCZKZMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7-10-9(13-11-7)12-8-5-3-2-4-6-8/h8H,2-6H2,1H3.
What are the key properties of 5-cyclohexyloxy-3-methyl-1,2,4-thiadiazole?
5-cyclohexyloxy-3-methyl-1,2,4-thiadiazole has a molecular weight of 198.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyloxy-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 88984917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).