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

C11H7F3N2OS — CID 171129571

IUPAC2-imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(=Cc2ccc(C(F)(F)F)cc2)S1
InChIInChI=1S/C11H7F3N2OS/c12-11(13,14)7-3-1-6(2-4-7)5-8-9(17)16-10(15)18-8/h1-5H,(H2,15,16,17)
InChIKeyLLSCSYFEIPWNNB-UHFFFAOYSA-N
MW272.25 g/mol
LogP2.84
Rot. Bonds1

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

2-imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 171129571) has the molecular formula C11H7F3N2OS and a molecular weight of 272.25 g/mol. Its IUPAC name is 2-imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID171129571
Molecular FormulaC11H7F3N2OS
Molecular Weight272.25 g/mol
Exact Mass272.02
IUPAC Name2-imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)C(=Cc2ccc(C(F)(F)F)cc2)S1
InChIInChI=1S/C11H7F3N2OS/c12-11(13,14)7-3-1-6(2-4-7)5-8-9(17)16-10(15)18-8/h1-5H,(H2,15,16,17)
InChIKeyLLSCSYFEIPWNNB-UHFFFAOYSA-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

(5E)-2-imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 154792233
4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
CID 137244728
(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135634856
4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonic acid
CID 171127983
5-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one
CID 140682660
2-(4-hydroxyphenyl)imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 135486601
(5E)-2-(4-methylphenyl)imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137080237
(5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6374855
(5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 168510639
(5Z)-5-[(4-bromo-3-nitrophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154791245
2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 171128369
5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154812350

Frequently Asked Questions

What is the IUPAC name of 2-imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one (CID 171129571) is 2-imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one is [H]/N=C1\NC(=O)C(=Cc2ccc(C(F)(F)F)cc2)S1.
What is the InChIKey of 2-imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is LLSCSYFEIPWNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2OS/c12-11(13,14)7-3-1-6(2-4-7)5-8-9(17)16-10(15)18-8/h1-5H,(H2,15,16,17).
What are the key properties of 2-imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one?
2-imino-5-[[4-(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 2-imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 171129571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).