4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-imine

C7H11F3N2S — CID 135934611

IUPAC4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-imine
SMILESCC1(C)CS/C(=N\CC(F)(F)F)N1
InChIInChI=1S/C7H11F3N2S/c1-6(2)4-13-5(12-6)11-3-7(8,9)10/h3-4H2,1-2H3,(H,11,12)
InChIKeyGTMYCAONMWFLQA-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.02
Rot. Bonds1

About 4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-imine

4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-imine (PubChem CID 135934611) has the molecular formula C7H11F3N2S and a molecular weight of 212.24 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-imine
PubChem CID135934611
Molecular FormulaC7H11F3N2S
Molecular Weight212.24 g/mol
Exact Mass212.06
IUPAC Name4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-imine
SMILESCC1(C)CS/C(=N\CC(F)(F)F)N1
InChIInChI=1S/C7H11F3N2S/c1-6(2)4-13-5(12-6)11-3-7(8,9)10/h3-4H2,1-2H3,(H,11,12)
InChIKeyGTMYCAONMWFLQA-UHFFFAOYSA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.02
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-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-imine (CID 135934611) is 4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-imine is CC1(C)CS/C(=N\CC(F)(F)F)N1.
What is the InChIKey of 4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-imine?
The InChIKey is GTMYCAONMWFLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2S/c1-6(2)4-13-5(12-6)11-3-7(8,9)10/h3-4H2,1-2H3,(H,11,12).
What are the key properties of 4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-imine?
4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-imine has a molecular weight of 212.24 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135934611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).