4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine

C14H28N2S — CID 136701829

IUPAC4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\CCCCCCC(C)C)N1
InChIInChI=1S/C14H28N2S/c1-4-13-11-17-14(16-13)15-10-8-6-5-7-9-12(2)3/h12-13H,4-11H2,1-3H3,(H,15,16)
InChIKeyYJXRGRGKDZWSJB-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.06
Rot. Bonds8

About 4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine

4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine (PubChem CID 136701829) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine
PubChem CID136701829
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine
SMILESCCC1CS/C(=N\CCCCCCC(C)C)N1
InChIInChI=1S/C14H28N2S/c1-4-13-11-17-14(16-13)15-10-8-6-5-7-9-12(2)3/h12-13H,4-11H2,1-3H3,(H,15,16)
InChIKeyYJXRGRGKDZWSJB-UHFFFAOYSA-N
XLogP4.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine (CID 136701829) is 4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine is CCC1CS/C(=N\CCCCCCC(C)C)N1.
What is the InChIKey of 4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine?
The InChIKey is YJXRGRGKDZWSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-4-13-11-17-14(16-13)15-10-8-6-5-7-9-12(2)3/h12-13H,4-11H2,1-3H3,(H,15,16).
What are the key properties of 4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine?
4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine has a molecular weight of 256.46 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136701829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).