4-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-thiazolidin-2-imine

C12H24N2S2 — CID 136762638

IUPAC4-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\CC(CC)(CC)SC)N1
InChIInChI=1S/C12H24N2S2/c1-5-10-8-16-11(14-10)13-9-12(6-2,7-3)15-4/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyLTSPMUMERIMSQM-UHFFFAOYSA-N
MW260.47 g/mol
LogP3.38
Rot. Bonds6

About 4-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-thiazolidin-2-imine

4-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-thiazolidin-2-imine (PubChem CID 136762638) has the molecular formula C12H24N2S2 and a molecular weight of 260.47 g/mol. Its IUPAC name is 4-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-thiazolidin-2-imine
PubChem CID136762638
Molecular FormulaC12H24N2S2
Molecular Weight260.47 g/mol
Exact Mass260.14
IUPAC Name4-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\CC(CC)(CC)SC)N1
InChIInChI=1S/C12H24N2S2/c1-5-10-8-16-11(14-10)13-9-12(6-2,7-3)15-4/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyLTSPMUMERIMSQM-UHFFFAOYSA-N
XLogP3.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-thiazolidin-2-imine with MolForge

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

Launch Full Analysis

Related Compounds

4-ethyl-N-(2-methoxy-2-methylpropyl)-1,3-thiazolidin-2-imine
CID 136817006
N-(2-ethyl-2-methylsulfanylbutyl)-4,6-dimethyl-1,3-thiazinan-2-imine
CID 136762649
4-ethyl-N-pentyl-1,3-thiazolidin-2-imine
CID 135934584
N-(2-ethyl-2-methylsulfanylbutyl)-8-methyl-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136762643
N-(2-ethyl-2-methylsulfanylbutyl)-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136964207
4-ethyl-N-(oxan-4-ylmethyl)-1,3-thiazolidin-2-imine
CID 135998385
4-ethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazolidin-2-imine
CID 137004296
4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine
CID 136867396
N-(2-ethyl-2-methylsulfanylbutyl)-3-thia-1-azaspiro[4.5]decan-2-imine
CID 136762648
N-[2-[(4-ethyl-1,3-thiazolidin-2-ylidene)amino]ethyl]methanesulfonamide
CID 135938395
4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine
CID 135973739
4-ethyl-N-(2-methylsulfinylpropyl)-1,3-thiazolidin-2-imine
CID 136948922

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-thiazolidin-2-imine (CID 136762638) is 4-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-thiazolidin-2-imine is CCC1CS/C(=N\CC(CC)(CC)SC)N1.
What is the InChIKey of 4-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-thiazolidin-2-imine?
The InChIKey is LTSPMUMERIMSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S2/c1-5-10-8-16-11(14-10)13-9-12(6-2,7-3)15-4/h10H,5-9H2,1-4H3,(H,13,14).
What are the key properties of 4-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-thiazolidin-2-imine?
4-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-thiazolidin-2-imine has a molecular weight of 260.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136762638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).