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

C10H17F3N2S — CID 136857925

IUPAC4-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine
SMILESCCC1(C)CS/C(=N\C(C)CC(F)(F)F)N1
InChIInChI=1S/C10H17F3N2S/c1-4-9(3)6-16-8(15-9)14-7(2)5-10(11,12)13/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyXHOUFPDNNXPYMG-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.19
Rot. Bonds3

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

4-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine (PubChem CID 136857925) has the molecular formula C10H17F3N2S and a molecular weight of 254.32 g/mol. Its IUPAC name is 4-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine
PubChem CID136857925
Molecular FormulaC10H17F3N2S
Molecular Weight254.32 g/mol
Exact Mass254.11
IUPAC Name4-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine
SMILESCCC1(C)CS/C(=N\C(C)CC(F)(F)F)N1
InChIInChI=1S/C10H17F3N2S/c1-4-9(3)6-16-8(15-9)14-7(2)5-10(11,12)13/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyXHOUFPDNNXPYMG-UHFFFAOYSA-N
XLogP3.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.19
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-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine?
The IUPAC name of 4-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine (CID 136857925) is 4-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine?
The canonical SMILES for 4-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine is CCC1(C)CS/C(=N\C(C)CC(F)(F)F)N1.
What is the InChIKey of 4-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine?
The InChIKey is XHOUFPDNNXPYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2S/c1-4-9(3)6-16-8(15-9)14-7(2)5-10(11,12)13/h7H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 4-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine?
4-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine has a molecular weight of 254.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136857925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).