4-cyclohexylthiadiazole

C8H12N2S — CID 18979673

IUPAC4-cyclohexylthiadiazole
SMILESc1snnc1C1CCCCC1
InChIInChI=1S/C8H12N2S/c1-2-4-7(5-3-1)8-6-11-10-9-8/h6-7H,1-5H2
InChIKeyBINOQTGBIAFNQY-UHFFFAOYSA-N
MW168.26 g/mol
LogP2.59
Rot. Bonds1

About 4-cyclohexylthiadiazole

4-cyclohexylthiadiazole (PubChem CID 18979673) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 4-cyclohexylthiadiazole.

Molecular Properties

Compound Name4-cyclohexylthiadiazole
PubChem CID18979673
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name4-cyclohexylthiadiazole
SMILESc1snnc1C1CCCCC1
InChIInChI=1S/C8H12N2S/c1-2-4-7(5-3-1)8-6-11-10-9-8/h6-7H,1-5H2
InChIKeyBINOQTGBIAFNQY-UHFFFAOYSA-N
XLogP2.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylthiadiazole?
The IUPAC name of 4-cyclohexylthiadiazole (CID 18979673) is 4-cyclohexylthiadiazole.
What is the SMILES notation for 4-cyclohexylthiadiazole?
The canonical SMILES for 4-cyclohexylthiadiazole is c1snnc1C1CCCCC1.
What is the InChIKey of 4-cyclohexylthiadiazole?
The InChIKey is BINOQTGBIAFNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-2-4-7(5-3-1)8-6-11-10-9-8/h6-7H,1-5H2.
What are the key properties of 4-cyclohexylthiadiazole?
4-cyclohexylthiadiazole has a molecular weight of 168.26 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylthiadiazole is sourced from PubChem (CID 18979673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).