4-butan-2-ylthiadiazole

C6H10N2S — CID 89062266

IUPAC4-butan-2-ylthiadiazole
SMILESCCC(C)c1csnn1
InChIInChI=1S/C6H10N2S/c1-3-5(2)6-4-9-8-7-6/h4-5H,3H2,1-2H3
InChIKeyABQFOVIZCXVZIU-UHFFFAOYSA-N
MW142.23 g/mol
LogP2.05
Rot. Bonds2

About 4-butan-2-ylthiadiazole

4-butan-2-ylthiadiazole (PubChem CID 89062266) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 4-butan-2-ylthiadiazole.

Molecular Properties

Compound Name4-butan-2-ylthiadiazole
PubChem CID89062266
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name4-butan-2-ylthiadiazole
SMILESCCC(C)c1csnn1
InChIInChI=1S/C6H10N2S/c1-3-5(2)6-4-9-8-7-6/h4-5H,3H2,1-2H3
InChIKeyABQFOVIZCXVZIU-UHFFFAOYSA-N
XLogP2.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylthiadiazole?
The IUPAC name of 4-butan-2-ylthiadiazole (CID 89062266) is 4-butan-2-ylthiadiazole.
What is the SMILES notation for 4-butan-2-ylthiadiazole?
The canonical SMILES for 4-butan-2-ylthiadiazole is CCC(C)c1csnn1.
What is the InChIKey of 4-butan-2-ylthiadiazole?
The InChIKey is ABQFOVIZCXVZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-3-5(2)6-4-9-8-7-6/h4-5H,3H2,1-2H3.
What are the key properties of 4-butan-2-ylthiadiazole?
4-butan-2-ylthiadiazole has a molecular weight of 142.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylthiadiazole is sourced from PubChem (CID 89062266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).