5-ethyl-4-propylthiadiazole

C7H12N2S — CID 5197928

IUPAC5-ethyl-4-propylthiadiazole
SMILESCCCc1nnsc1CC
InChIInChI=1S/C7H12N2S/c1-3-5-6-7(4-2)10-9-8-6/h3-5H2,1-2H3
InChIKeyCYFTVKHFQDEWNC-UHFFFAOYSA-N
MW156.25 g/mol
LogP2.05
Rot. Bonds3

About 5-ethyl-4-propylthiadiazole

5-ethyl-4-propylthiadiazole (PubChem CID 5197928) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 5-ethyl-4-propylthiadiazole.

Molecular Properties

Compound Name5-ethyl-4-propylthiadiazole
PubChem CID5197928
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name5-ethyl-4-propylthiadiazole
SMILESCCCc1nnsc1CC
InChIInChI=1S/C7H12N2S/c1-3-5-6-7(4-2)10-9-8-6/h3-5H2,1-2H3
InChIKeyCYFTVKHFQDEWNC-UHFFFAOYSA-N
XLogP2.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
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-ethyl-4-propylthiadiazole?
The IUPAC name of 5-ethyl-4-propylthiadiazole (CID 5197928) is 5-ethyl-4-propylthiadiazole.
What is the SMILES notation for 5-ethyl-4-propylthiadiazole?
The canonical SMILES for 5-ethyl-4-propylthiadiazole is CCCc1nnsc1CC.
What is the InChIKey of 5-ethyl-4-propylthiadiazole?
The InChIKey is CYFTVKHFQDEWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-3-5-6-7(4-2)10-9-8-6/h3-5H2,1-2H3.
What are the key properties of 5-ethyl-4-propylthiadiazole?
5-ethyl-4-propylthiadiazole has a molecular weight of 156.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-propylthiadiazole is sourced from PubChem (CID 5197928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).