5-tert-butyl-3-ethyl-1,2,4-thiadiazole

C8H14N2S — CID 89014665

IUPAC5-tert-butyl-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(C(C)(C)C)n1
InChIInChI=1S/C8H14N2S/c1-5-6-9-7(11-10-6)8(2,3)4/h5H2,1-4H3
InChIKeyMSPNARMVSWGGPP-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.40
Rot. Bonds1

About 5-tert-butyl-3-ethyl-1,2,4-thiadiazole

5-tert-butyl-3-ethyl-1,2,4-thiadiazole (PubChem CID 89014665) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 5-tert-butyl-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-ethyl-1,2,4-thiadiazole
PubChem CID89014665
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name5-tert-butyl-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(C(C)(C)C)n1
InChIInChI=1S/C8H14N2S/c1-5-6-9-7(11-10-6)8(2,3)4/h5H2,1-4H3
InChIKeyMSPNARMVSWGGPP-UHFFFAOYSA-N
XLogP2.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-3-ethyl-1,2,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-tert-butyl-3-ethyl-1,2,4-thiadiazole (CID 89014665) is 5-tert-butyl-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-tert-butyl-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-tert-butyl-3-ethyl-1,2,4-thiadiazole is CCc1nsc(C(C)(C)C)n1.
What is the InChIKey of 5-tert-butyl-3-ethyl-1,2,4-thiadiazole?
The InChIKey is MSPNARMVSWGGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-5-6-9-7(11-10-6)8(2,3)4/h5H2,1-4H3.
What are the key properties of 5-tert-butyl-3-ethyl-1,2,4-thiadiazole?
5-tert-butyl-3-ethyl-1,2,4-thiadiazole has a molecular weight of 170.28 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 89014665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).