3,5-bis(2-ethylbutyl)-1,2,4-thiadiazole

C14H26N2S — CID 123725023

IUPAC3,5-bis(2-ethylbutyl)-1,2,4-thiadiazole
SMILESCCC(CC)Cc1nsc(CC(CC)CC)n1
InChIInChI=1S/C14H26N2S/c1-5-11(6-2)9-13-15-14(17-16-13)10-12(7-3)8-4/h11-12H,5-10H2,1-4H3
InChIKeyNRXLDDCVQUZXDY-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.50
Rot. Bonds8

About 3,5-bis(2-ethylbutyl)-1,2,4-thiadiazole

3,5-bis(2-ethylbutyl)-1,2,4-thiadiazole (PubChem CID 123725023) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 3,5-bis(2-ethylbutyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3,5-bis(2-ethylbutyl)-1,2,4-thiadiazole
PubChem CID123725023
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name3,5-bis(2-ethylbutyl)-1,2,4-thiadiazole
SMILESCCC(CC)Cc1nsc(CC(CC)CC)n1
InChIInChI=1S/C14H26N2S/c1-5-11(6-2)9-13-15-14(17-16-13)10-12(7-3)8-4/h11-12H,5-10H2,1-4H3
InChIKeyNRXLDDCVQUZXDY-UHFFFAOYSA-N
XLogP4.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-ethylbutyl)-1,2,4-thiadiazole?
The IUPAC name of 3,5-bis(2-ethylbutyl)-1,2,4-thiadiazole (CID 123725023) is 3,5-bis(2-ethylbutyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3,5-bis(2-ethylbutyl)-1,2,4-thiadiazole?
The canonical SMILES for 3,5-bis(2-ethylbutyl)-1,2,4-thiadiazole is CCC(CC)Cc1nsc(CC(CC)CC)n1.
What is the InChIKey of 3,5-bis(2-ethylbutyl)-1,2,4-thiadiazole?
The InChIKey is NRXLDDCVQUZXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-5-11(6-2)9-13-15-14(17-16-13)10-12(7-3)8-4/h11-12H,5-10H2,1-4H3.
What are the key properties of 3,5-bis(2-ethylbutyl)-1,2,4-thiadiazole?
3,5-bis(2-ethylbutyl)-1,2,4-thiadiazole has a molecular weight of 254.44 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-ethylbutyl)-1,2,4-thiadiazole is sourced from PubChem (CID 123725023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).