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

C11H7F3N2OS — CID 154792233

IUPAC(5E)-2-imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)/C(=C\c2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C11H7F3N2OS/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(17)16-10(15)18-8/h1-5H,(H2,15,16,17)/b8-5+
InChIKeySFHIAFGYGLAKBJ-VMPITWQZSA-N
MW272.25 g/mol
LogP2.84
Rot. Bonds1

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

(5E)-2-imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 154792233) has the molecular formula C11H7F3N2OS and a molecular weight of 272.25 g/mol. Its IUPAC name is (5E)-2-imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID154792233
Molecular FormulaC11H7F3N2OS
Molecular Weight272.25 g/mol
Exact Mass272.02
IUPAC Name(5E)-2-imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1/NC(=O)/C(=C\c2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C11H7F3N2OS/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(17)16-10(15)18-8/h1-5H,(H2,15,16,17)/b8-5+
InChIKeySFHIAFGYGLAKBJ-VMPITWQZSA-N
XLogP2.84
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 171129571
(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one
CID 5476828
2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 171128369
(5Z)-2-cyclohexylimino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135490221
2-(3-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135457268
(5Z)-2-(4-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135770906
(5Z)-2-(3-methylphenyl)imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135770918
4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
CID 137244728
5-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one
CID 140682660
(5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 168510639
[3-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzoate
CID 171128489
2-imino-5-[[3-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 171128786

Frequently Asked Questions

What is the IUPAC name of (5E)-2-imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one (CID 154792233) is (5E)-2-imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one is [H]/N=C1/NC(=O)/C(=C\c2cccc(C(F)(F)F)c2)S1.
What is the InChIKey of (5E)-2-imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is SFHIAFGYGLAKBJ-VMPITWQZSA-N. The full InChI is InChI=1S/C11H7F3N2OS/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(17)16-10(15)18-8/h1-5H,(H2,15,16,17)/b8-5+.
What are the key properties of (5E)-2-imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
(5E)-2-imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 272.25 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 154792233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).