3-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine

C11H11F3N2S — CID 4846637

IUPAC3-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
SMILESCN1CCS/C1=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2S/c1-16-5-6-17-10(16)15-9-4-2-3-8(7-9)11(12,13)14/h2-4,7H,5-6H2,1H3/b15-10-
InChIKeyBNOORIUZAZNKBD-GDNBJRDFSA-N
MW260.28 g/mol
LogP3.37
Rot. Bonds1

About 3-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine

3-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine (PubChem CID 4846637) has the molecular formula C11H11F3N2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 3-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
PubChem CID4846637
Molecular FormulaC11H11F3N2S
Molecular Weight260.28 g/mol
Exact Mass260.06
IUPAC Name3-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine
SMILESCN1CCS/C1=N\c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2S/c1-16-5-6-17-10(16)15-9-4-2-3-8(7-9)11(12,13)14/h2-4,7H,5-6H2,1H3/b15-10-
InChIKeyBNOORIUZAZNKBD-GDNBJRDFSA-N
XLogP3.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
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 3-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 3-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine (CID 4846637) is 3-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine is CN1CCS/C1=N\c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
The InChIKey is BNOORIUZAZNKBD-GDNBJRDFSA-N. The full InChI is InChI=1S/C11H11F3N2S/c1-16-5-6-17-10(16)15-9-4-2-3-8(7-9)11(12,13)14/h2-4,7H,5-6H2,1H3/b15-10-.
What are the key properties of 3-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine?
3-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine has a molecular weight of 260.28 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 4846637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).