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

C16H9F3N2O3S — CID 168953768

IUPAC(5Z)-5-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccnc(-c3ccc(OC(F)(F)F)cc3)c2)S1
InChIInChI=1S/C16H9F3N2O3S/c17-16(18,19)24-11-3-1-10(2-4-11)12-7-9(5-6-20-12)8-13-14(22)21-15(23)25-13/h1-8H,(H,21,22,23)/b13-8-
InChIKeyHMCBRVLKKSBZSA-JYRVWZFOSA-N
MW366.32 g/mol
LogP3.97
Rot. Bonds3

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

(5Z)-5-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 168953768) has the molecular formula C16H9F3N2O3S and a molecular weight of 366.32 g/mol. Its IUPAC name is (5Z)-5-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID168953768
Molecular FormulaC16H9F3N2O3S
Molecular Weight366.32 g/mol
Exact Mass366.03
IUPAC Name(5Z)-5-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccnc(-c3ccc(OC(F)(F)F)cc3)c2)S1
InChIInChI=1S/C16H9F3N2O3S/c17-16(18,19)24-11-3-1-10(2-4-11)12-7-9(5-6-20-12)8-13-14(22)21-15(23)25-13/h1-8H,(H,21,22,23)/b13-8-
InChIKeyHMCBRVLKKSBZSA-JYRVWZFOSA-N
XLogP3.97
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.32
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-[[4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 74403639
(5Z)-5-[[4-(1,1,2-trifluoroethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87403925
5-[[4-(1,1,2-trifluoroethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87403926
(5E)-5-[[3-fluoro-5-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87403527
(5E)-5-[[4-fluoro-2-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87404156
(5Z)-5-[[4-(4-phenoxyphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 168664662
(5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25067903
1-(bromomethyl)-4-(trifluoromethoxy)benzene;(5Z)-3-[(4-methylphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 123949744
5-[[3-[5,5,8,8-tetramethyl-3-(trifluoromethyl)-6,7-dihydronaphthalen-2-yl]-4-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 85071073
(5Z)-5-[[6-(4-tert-butylphenyl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 168953793
(5Z)-5-[[5-[2-hydroxy-5-(trifluoromethoxy)phenyl]furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 11566902
(5E)-5-[(4-pyridazin-3-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 23658356

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 168953768) is (5Z)-5-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccnc(-c3ccc(OC(F)(F)F)cc3)c2)S1.
What is the InChIKey of (5Z)-5-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is HMCBRVLKKSBZSA-JYRVWZFOSA-N. The full InChI is InChI=1S/C16H9F3N2O3S/c17-16(18,19)24-11-3-1-10(2-4-11)12-7-9(5-6-20-12)8-13-14(22)21-15(23)25-13/h1-8H,(H,21,22,23)/b13-8-.
What are the key properties of (5Z)-5-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 366.32 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 168953768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).