ethane;5-ethyl-1,2,4-thiadiazole

C6H12N2S — CID 143386452

IUPACethane;5-ethyl-1,2,4-thiadiazole
SMILESCC.CCc1ncns1
InChIInChI=1S/C4H6N2S.C2H6/c1-2-4-5-3-6-7-4;1-2/h3H,2H2,1H3;1-2H3
InChIKeyOAKHOKILULCJFT-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.13
Rot. Bonds1

About ethane;5-ethyl-1,2,4-thiadiazole

ethane;5-ethyl-1,2,4-thiadiazole (PubChem CID 143386452) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is ethane;5-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Nameethane;5-ethyl-1,2,4-thiadiazole
PubChem CID143386452
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Nameethane;5-ethyl-1,2,4-thiadiazole
SMILESCC.CCc1ncns1
InChIInChI=1S/C4H6N2S.C2H6/c1-2-4-5-3-6-7-4;1-2/h3H,2H2,1H3;1-2H3
InChIKeyOAKHOKILULCJFT-UHFFFAOYSA-N
XLogP2.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-1,2,4-thiadiazole?
The IUPAC name of ethane;5-ethyl-1,2,4-thiadiazole (CID 143386452) is ethane;5-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for ethane;5-ethyl-1,2,4-thiadiazole?
The canonical SMILES for ethane;5-ethyl-1,2,4-thiadiazole is CC.CCc1ncns1.
What is the InChIKey of ethane;5-ethyl-1,2,4-thiadiazole?
The InChIKey is OAKHOKILULCJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S.C2H6/c1-2-4-5-3-6-7-4;1-2/h3H,2H2,1H3;1-2H3.
What are the key properties of ethane;5-ethyl-1,2,4-thiadiazole?
ethane;5-ethyl-1,2,4-thiadiazole has a molecular weight of 144.24 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 143386452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).