4,4-diethyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine

C11H19F3N2S — CID 136999779

IUPAC4,4-diethyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine
SMILESCCC1(CC)CS/C(=N\C(C)CC(F)(F)F)N1
InChIInChI=1S/C11H19F3N2S/c1-4-10(5-2)7-17-9(16-10)15-8(3)6-11(12,13)14/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyRMSPGHPFXUZUPH-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.58
Rot. Bonds4

About 4,4-diethyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine

4,4-diethyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine (PubChem CID 136999779) has the molecular formula C11H19F3N2S and a molecular weight of 268.35 g/mol. Its IUPAC name is 4,4-diethyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4,4-diethyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine
PubChem CID136999779
Molecular FormulaC11H19F3N2S
Molecular Weight268.35 g/mol
Exact Mass268.12
IUPAC Name4,4-diethyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine
SMILESCCC1(CC)CS/C(=N\C(C)CC(F)(F)F)N1
InChIInChI=1S/C11H19F3N2S/c1-4-10(5-2)7-17-9(16-10)15-8(3)6-11(12,13)14/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyRMSPGHPFXUZUPH-UHFFFAOYSA-N
XLogP3.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4,4-diethyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4,4-diethyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine (CID 136999779) is 4,4-diethyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4,4-diethyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4,4-diethyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine is CCC1(CC)CS/C(=N\C(C)CC(F)(F)F)N1.
What is the InChIKey of 4,4-diethyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine?
The InChIKey is RMSPGHPFXUZUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2S/c1-4-10(5-2)7-17-9(16-10)15-8(3)6-11(12,13)14/h8H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 4,4-diethyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine?
4,4-diethyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine has a molecular weight of 268.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136999779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).