3-ethyl-1,2,4-thiadiazole;propane

C7H14N2S — CID 144511428

IUPAC3-ethyl-1,2,4-thiadiazole;propane
SMILESCCC.CCc1ncsn1
InChIInChI=1S/C4H6N2S.C3H8/c1-2-4-5-3-7-6-4;1-3-2/h3H,2H2,1H3;3H2,1-2H3
InChIKeyMTRWBQCPXZAUDZ-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.52
Rot. Bonds1

About 3-ethyl-1,2,4-thiadiazole;propane

3-ethyl-1,2,4-thiadiazole;propane (PubChem CID 144511428) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 3-ethyl-1,2,4-thiadiazole;propane.

Molecular Properties

Compound Name3-ethyl-1,2,4-thiadiazole;propane
PubChem CID144511428
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name3-ethyl-1,2,4-thiadiazole;propane
SMILESCCC.CCc1ncsn1
InChIInChI=1S/C4H6N2S.C3H8/c1-2-4-5-3-7-6-4;1-3-2/h3H,2H2,1H3;3H2,1-2H3
InChIKeyMTRWBQCPXZAUDZ-UHFFFAOYSA-N
XLogP2.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-1,2,4-thiadiazole;propane 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 3-ethyl-1,2,4-thiadiazole;propane?
The IUPAC name of 3-ethyl-1,2,4-thiadiazole;propane (CID 144511428) is 3-ethyl-1,2,4-thiadiazole;propane.
What is the SMILES notation for 3-ethyl-1,2,4-thiadiazole;propane?
The canonical SMILES for 3-ethyl-1,2,4-thiadiazole;propane is CCC.CCc1ncsn1.
What is the InChIKey of 3-ethyl-1,2,4-thiadiazole;propane?
The InChIKey is MTRWBQCPXZAUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S.C3H8/c1-2-4-5-3-7-6-4;1-3-2/h3H,2H2,1H3;3H2,1-2H3.
What are the key properties of 3-ethyl-1,2,4-thiadiazole;propane?
3-ethyl-1,2,4-thiadiazole;propane has a molecular weight of 158.27 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2,4-thiadiazole;propane is sourced from PubChem (CID 144511428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).