5-hexan-3-yl-1,2,4-thiadiazole

C8H14N2S — CID 129264346

IUPAC5-hexan-3-yl-1,2,4-thiadiazole
SMILESCCCC(CC)c1ncns1
InChIInChI=1S/C8H14N2S/c1-3-5-7(4-2)8-9-6-10-11-8/h6-7H,3-5H2,1-2H3
InChIKeyZVZOFOUKTITOIY-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.83
Rot. Bonds4

About 5-hexan-3-yl-1,2,4-thiadiazole

5-hexan-3-yl-1,2,4-thiadiazole (PubChem CID 129264346) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 5-hexan-3-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-hexan-3-yl-1,2,4-thiadiazole
PubChem CID129264346
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name5-hexan-3-yl-1,2,4-thiadiazole
SMILESCCCC(CC)c1ncns1
InChIInChI=1S/C8H14N2S/c1-3-5-7(4-2)8-9-6-10-11-8/h6-7H,3-5H2,1-2H3
InChIKeyZVZOFOUKTITOIY-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hexan-3-yl-1,2,4-thiadiazole?
The IUPAC name of 5-hexan-3-yl-1,2,4-thiadiazole (CID 129264346) is 5-hexan-3-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-hexan-3-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-hexan-3-yl-1,2,4-thiadiazole is CCCC(CC)c1ncns1.
What is the InChIKey of 5-hexan-3-yl-1,2,4-thiadiazole?
The InChIKey is ZVZOFOUKTITOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-5-7(4-2)8-9-6-10-11-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-hexan-3-yl-1,2,4-thiadiazole?
5-hexan-3-yl-1,2,4-thiadiazole has a molecular weight of 170.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexan-3-yl-1,2,4-thiadiazole is sourced from PubChem (CID 129264346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).