4-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazolidin-2-imine

C10H16N4OS — CID 136902075

IUPAC4-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\CCc2nc(C)no2)N1
InChIInChI=1S/C10H16N4OS/c1-3-8-6-16-10(13-8)11-5-4-9-12-7(2)14-15-9/h8H,3-6H2,1-2H3,(H,11,13)
InChIKeyLCXQHFACOMCVLW-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.39
Rot. Bonds4

About 4-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazolidin-2-imine

4-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazolidin-2-imine (PubChem CID 136902075) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazolidin-2-imine
PubChem CID136902075
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name4-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\CCc2nc(C)no2)N1
InChIInChI=1S/C10H16N4OS/c1-3-8-6-16-10(13-8)11-5-4-9-12-7(2)14-15-9/h8H,3-6H2,1-2H3,(H,11,13)
InChIKeyLCXQHFACOMCVLW-UHFFFAOYSA-N
XLogP1.39
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazolidin-2-imine (CID 136902075) is 4-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazolidin-2-imine is CCC1CS/C(=N\CCc2nc(C)no2)N1.
What is the InChIKey of 4-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazolidin-2-imine?
The InChIKey is LCXQHFACOMCVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-3-8-6-16-10(13-8)11-5-4-9-12-7(2)14-15-9/h8H,3-6H2,1-2H3,(H,11,13).
What are the key properties of 4-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazolidin-2-imine?
4-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazolidin-2-imine has a molecular weight of 240.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136902075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).