5-N-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,5-diimine

C12H12F3N3S — CID 18634889

IUPAC5-N-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,5-diimine
SMILES[H]/N=C1\S/C(=N\CC)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3N3S/c1-2-17-10-7-18(11(16)19-10)9-5-3-4-8(6-9)12(13,14)15/h3-6,16H,2,7H2,1H3/b16-11-,17-10-
InChIKeyHZVWIFHJUVZBNE-ZTLHOUMVSA-N
MW287.31 g/mol
LogP3.61
Rot. Bonds2

About 5-N-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,5-diimine

5-N-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,5-diimine (PubChem CID 18634889) has the molecular formula C12H12F3N3S and a molecular weight of 287.31 g/mol. Its IUPAC name is 5-N-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,5-diimine.

Molecular Properties

Compound Name5-N-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,5-diimine
PubChem CID18634889
Molecular FormulaC12H12F3N3S
Molecular Weight287.31 g/mol
Exact Mass287.07
IUPAC Name5-N-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,5-diimine
SMILES[H]/N=C1\S/C(=N\CC)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3N3S/c1-2-17-10-7-18(11(16)19-10)9-5-3-4-8(6-9)12(13,14)15/h3-6,16H,2,7H2,1H3/b16-11-,17-10-
InChIKeyHZVWIFHJUVZBNE-ZTLHOUMVSA-N
XLogP3.61
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-N-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,5-diimine?
The IUPAC name of 5-N-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,5-diimine (CID 18634889) is 5-N-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,5-diimine.
What is the SMILES notation for 5-N-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,5-diimine?
The canonical SMILES for 5-N-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,5-diimine is [H]/N=C1\S/C(=N\CC)CN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-N-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,5-diimine?
The InChIKey is HZVWIFHJUVZBNE-ZTLHOUMVSA-N. The full InChI is InChI=1S/C12H12F3N3S/c1-2-17-10-7-18(11(16)19-10)9-5-3-4-8(6-9)12(13,14)15/h3-6,16H,2,7H2,1H3/b16-11-,17-10-.
What are the key properties of 5-N-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,5-diimine?
5-N-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,5-diimine has a molecular weight of 287.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-2,5-diimine is sourced from PubChem (CID 18634889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).