4-cyclobutylthiadiazole

C6H8N2S — CID 146168347

IUPAC4-cyclobutylthiadiazole
SMILESc1snnc1C1CCC1
InChIInChI=1S/C6H8N2S/c1-2-5(3-1)6-4-9-8-7-6/h4-5H,1-3H2
InChIKeyYRRSZFQBVCWRNK-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.81
Rot. Bonds1

About 4-cyclobutylthiadiazole

4-cyclobutylthiadiazole (PubChem CID 146168347) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 4-cyclobutylthiadiazole.

Molecular Properties

Compound Name4-cyclobutylthiadiazole
PubChem CID146168347
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name4-cyclobutylthiadiazole
SMILESc1snnc1C1CCC1
InChIInChI=1S/C6H8N2S/c1-2-5(3-1)6-4-9-8-7-6/h4-5H,1-3H2
InChIKeyYRRSZFQBVCWRNK-UHFFFAOYSA-N
XLogP1.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutylthiadiazole?
The IUPAC name of 4-cyclobutylthiadiazole (CID 146168347) is 4-cyclobutylthiadiazole.
What is the SMILES notation for 4-cyclobutylthiadiazole?
The canonical SMILES for 4-cyclobutylthiadiazole is c1snnc1C1CCC1.
What is the InChIKey of 4-cyclobutylthiadiazole?
The InChIKey is YRRSZFQBVCWRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-2-5(3-1)6-4-9-8-7-6/h4-5H,1-3H2.
What are the key properties of 4-cyclobutylthiadiazole?
4-cyclobutylthiadiazole has a molecular weight of 140.21 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutylthiadiazole is sourced from PubChem (CID 146168347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).