4-(2-methoxyethyl)-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine

C11H19F3N2OS — CID 137010915

IUPAC4-(2-methoxyethyl)-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine
SMILESCOCCC1CS/C(=N\CCCCC(F)(F)F)N1
InChIInChI=1S/C11H19F3N2OS/c1-17-7-4-9-8-18-10(16-9)15-6-3-2-5-11(12,13)14/h9H,2-8H2,1H3,(H,15,16)
InChIKeyKHXYVWLMJUWQFC-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.82
Rot. Bonds7

About 4-(2-methoxyethyl)-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine

4-(2-methoxyethyl)-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine (PubChem CID 137010915) has the molecular formula C11H19F3N2OS and a molecular weight of 284.35 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-(2-methoxyethyl)-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine
PubChem CID137010915
Molecular FormulaC11H19F3N2OS
Molecular Weight284.35 g/mol
Exact Mass284.12
IUPAC Name4-(2-methoxyethyl)-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine
SMILESCOCCC1CS/C(=N\CCCCC(F)(F)F)N1
InChIInChI=1S/C11H19F3N2OS/c1-17-7-4-9-8-18-10(16-9)15-6-3-2-5-11(12,13)14/h9H,2-8H2,1H3,(H,15,16)
InChIKeyKHXYVWLMJUWQFC-UHFFFAOYSA-N
XLogP2.82
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4-(2-methoxyethyl)-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine (CID 137010915) is 4-(2-methoxyethyl)-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-(2-methoxyethyl)-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-(2-methoxyethyl)-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine is COCCC1CS/C(=N\CCCCC(F)(F)F)N1.
What is the InChIKey of 4-(2-methoxyethyl)-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine?
The InChIKey is KHXYVWLMJUWQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2OS/c1-17-7-4-9-8-18-10(16-9)15-6-3-2-5-11(12,13)14/h9H,2-8H2,1H3,(H,15,16).
What are the key properties of 4-(2-methoxyethyl)-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine?
4-(2-methoxyethyl)-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine has a molecular weight of 284.35 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-N-(5,5,5-trifluoropentyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 137010915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).