2,5-diethyl-1,3,4-thiadiazole

C6H10N2S — CID 6451667

IUPAC2,5-diethyl-1,3,4-thiadiazole
SMILESCCc1nnc(CC)s1
InChIInChI=1S/C6H10N2S/c1-3-5-7-8-6(4-2)9-5/h3-4H2,1-2H3
InChIKeyBXVZVOBTUSLCIO-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.66
Rot. Bonds2

About 2,5-diethyl-1,3,4-thiadiazole

2,5-diethyl-1,3,4-thiadiazole (PubChem CID 6451667) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 2,5-diethyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2,5-diethyl-1,3,4-thiadiazole
PubChem CID6451667
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name2,5-diethyl-1,3,4-thiadiazole
SMILESCCc1nnc(CC)s1
InChIInChI=1S/C6H10N2S/c1-3-5-7-8-6(4-2)9-5/h3-4H2,1-2H3
InChIKeyBXVZVOBTUSLCIO-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1,3,4-thiadiazole?
The IUPAC name of 2,5-diethyl-1,3,4-thiadiazole (CID 6451667) is 2,5-diethyl-1,3,4-thiadiazole.
What is the SMILES notation for 2,5-diethyl-1,3,4-thiadiazole?
The canonical SMILES for 2,5-diethyl-1,3,4-thiadiazole is CCc1nnc(CC)s1.
What is the InChIKey of 2,5-diethyl-1,3,4-thiadiazole?
The InChIKey is BXVZVOBTUSLCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-3-5-7-8-6(4-2)9-5/h3-4H2,1-2H3.
What are the key properties of 2,5-diethyl-1,3,4-thiadiazole?
2,5-diethyl-1,3,4-thiadiazole has a molecular weight of 142.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1,3,4-thiadiazole is sourced from PubChem (CID 6451667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).