4-(2-methoxyethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine

C9H15F3N2OS2 — CID 137010960

IUPAC4-(2-methoxyethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine
SMILESCOCCC1CS/C(=N\CCSC(F)(F)F)N1
InChIInChI=1S/C9H15F3N2OS2/c1-15-4-2-7-6-16-8(14-7)13-3-5-17-9(10,11)12/h7H,2-6H2,1H3,(H,13,14)
InChIKeyKILFZSRSVGWLBQ-UHFFFAOYSA-N
MW288.36 g/mol
LogP2.34
Rot. Bonds6

About 4-(2-methoxyethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine

4-(2-methoxyethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine (PubChem CID 137010960) has the molecular formula C9H15F3N2OS2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-(2-methoxyethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine
PubChem CID137010960
Molecular FormulaC9H15F3N2OS2
Molecular Weight288.36 g/mol
Exact Mass288.06
IUPAC Name4-(2-methoxyethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine
SMILESCOCCC1CS/C(=N\CCSC(F)(F)F)N1
InChIInChI=1S/C9H15F3N2OS2/c1-15-4-2-7-6-16-8(14-7)13-3-5-17-9(10,11)12/h7H,2-6H2,1H3,(H,13,14)
InChIKeyKILFZSRSVGWLBQ-UHFFFAOYSA-N
XLogP2.34
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methoxyethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 4-(2-methoxyethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine (CID 137010960) is 4-(2-methoxyethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-(2-methoxyethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-(2-methoxyethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine is COCCC1CS/C(=N\CCSC(F)(F)F)N1.
What is the InChIKey of 4-(2-methoxyethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine?
The InChIKey is KILFZSRSVGWLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2OS2/c1-15-4-2-7-6-16-8(14-7)13-3-5-17-9(10,11)12/h7H,2-6H2,1H3,(H,13,14).
What are the key properties of 4-(2-methoxyethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine?
4-(2-methoxyethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine has a molecular weight of 288.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 137010960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).