2-imino-3-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

C11H9F3N2OS — CID 155580312

IUPAC2-imino-3-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C11H9F3N2OS/c1-6-2-3-7(11(12,13)14)4-8(6)16-9(17)5-18-10(16)15/h2-4,15H,5H2,1H3/b15-10-
InChIKeyICNJEMQGWSLJLG-GDNBJRDFSA-N
MW274.27 g/mol
LogP3.03
Rot. Bonds1

About 2-imino-3-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

2-imino-3-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 155580312) has the molecular formula C11H9F3N2OS and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-imino-3-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID155580312
Molecular FormulaC11H9F3N2OS
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name2-imino-3-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C11H9F3N2OS/c1-6-2-3-7(11(12,13)14)4-8(6)16-9(17)5-18-10(16)15/h2-4,15H,5H2,1H3/b15-10-
InChIKeyICNJEMQGWSLJLG-GDNBJRDFSA-N
XLogP3.03
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-(Tert-butyl)phenyl]-2-imino-1,3-thiazolan-4-one
CID 2726585
(5Z)-5-benzylidene-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 12004521
3-(2,3-Dimethylphenyl)-2-imino-1,3-thiazolidin-4-one
CID 613215
(Z)-2-(propylimino)-3-(o-tolyl)thiazolidin-4-one
CID 24956672
(5Z)-5-(2-fluorobenzylidene)-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 12004520
(5Z)-5-[(2-fluorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633539
5-(2-Fluoro-benzylidene)-3-(2-fluoro-phenyl)-2-imino-thiazolidin-4-one
CID 1227083
(2Z)-3-[3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
CID 134815437
(5Z)-3-(4-fluorophenyl)-2-imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 1361021
(5Z)-3-(4-fluorophenyl)-5-[(3-fluorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 21208572
(2Z)-3-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
CID 134815214
(2Z)-3-(3-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]imino-thiazolidin-4-one
CID 134815374

Frequently Asked Questions

What is the IUPAC name of 2-imino-3-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-3-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 155580312) is 2-imino-3-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-3-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-3-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1cc(C(F)(F)F)ccc1C.
What is the InChIKey of 2-imino-3-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is ICNJEMQGWSLJLG-GDNBJRDFSA-N. The full InChI is InChI=1S/C11H9F3N2OS/c1-6-2-3-7(11(12,13)14)4-8(6)16-9(17)5-18-10(16)15/h2-4,15H,5H2,1H3/b15-10-.
What are the key properties of 2-imino-3-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
2-imino-3-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 274.27 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 155580312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).