5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C16H9F3N2O2S — CID 154812350

IUPAC5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)S1
InChIInChI=1S/C16H9F3N2O2S/c17-16(18,19)11-5-6-12(20-8-11)10-3-1-9(2-4-10)7-13-14(22)21-15(23)24-13/h1-8H,(H,21,22,23)
InChIKeyLTRLOXIHSVIOQT-UHFFFAOYSA-N
MW350.32 g/mol
LogP4.09
Rot. Bonds2

About 5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 154812350) has the molecular formula C16H9F3N2O2S and a molecular weight of 350.32 g/mol. Its IUPAC name is 5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID154812350
Molecular FormulaC16H9F3N2O2S
Molecular Weight350.32 g/mol
Exact Mass350.03
IUPAC Name5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)S1
InChIInChI=1S/C16H9F3N2O2S/c17-16(18,19)11-5-6-12(20-8-11)10-3-1-9(2-4-10)7-13-14(22)21-15(23)24-13/h1-8H,(H,21,22,23)
InChIKeyLTRLOXIHSVIOQT-UHFFFAOYSA-N
XLogP4.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(trifluoromethyl)-2-pyridinyl]benzaldehyde
CID 2763359
(5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6374855
(5Z)-5-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 168953768
2-imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 171129571
(5Z)-5-[[6-(4-tert-butylphenyl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 168953793
(5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25067903
5-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 74403639
(5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1397819
5-ethenyl-2-[4-(trifluoromethyl)phenyl]pyridine
CID 175646912
5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazol-5-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 86659667
(5E)-2-(4-methylphenyl)imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137080237
6-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroindol-2-one
CID 155502531

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 154812350) is 5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(=Cc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)S1.
What is the InChIKey of 5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is LTRLOXIHSVIOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O2S/c17-16(18,19)11-5-6-12(20-8-11)10-3-1-9(2-4-10)7-13-14(22)21-15(23)24-13/h1-8H,(H,21,22,23).
What are the key properties of 5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 350.32 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 154812350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).