5-butan-2-yl-1,2,4-thiadiazole

C6H10N2S — CID 89029706

IUPAC5-butan-2-yl-1,2,4-thiadiazole
SMILESCCC(C)c1ncns1
InChIInChI=1S/C6H10N2S/c1-3-5(2)6-7-4-8-9-6/h4-5H,3H2,1-2H3
InChIKeyFNQNTBAZIVSKGR-UHFFFAOYSA-N
MW142.23 g/mol
LogP2.05
Rot. Bonds2

About 5-butan-2-yl-1,2,4-thiadiazole

5-butan-2-yl-1,2,4-thiadiazole (PubChem CID 89029706) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 5-butan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-butan-2-yl-1,2,4-thiadiazole
PubChem CID89029706
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name5-butan-2-yl-1,2,4-thiadiazole
SMILESCCC(C)c1ncns1
InChIInChI=1S/C6H10N2S/c1-3-5(2)6-7-4-8-9-6/h4-5H,3H2,1-2H3
InChIKeyFNQNTBAZIVSKGR-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 5-butan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-butan-2-yl-1,2,4-thiadiazole (CID 89029706) is 5-butan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-butan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-butan-2-yl-1,2,4-thiadiazole is CCC(C)c1ncns1.
What is the InChIKey of 5-butan-2-yl-1,2,4-thiadiazole?
The InChIKey is FNQNTBAZIVSKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-3-5(2)6-7-4-8-9-6/h4-5H,3H2,1-2H3.
What are the key properties of 5-butan-2-yl-1,2,4-thiadiazole?
5-butan-2-yl-1,2,4-thiadiazole 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 5-butan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 89029706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).