(5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione

C17H17FN2O2S — CID 50865333

IUPAC(5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC1=CC(C)(C)N(C)c2cc(F)c(/C=C3\SC(=O)NC3=O)cc21
InChIInChI=1S/C17H17FN2O2S/c1-9-8-17(2,3)20(4)13-7-12(18)10(5-11(9)13)6-14-15(21)19-16(22)23-14/h5-8H,1-4H3,(H,19,21,22)/b14-6-
InChIKeyFMCXCCFLTHOFTN-NSIKDUERSA-N
MW332.40 g/mol
LogP3.78
Rot. Bonds1

About (5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 50865333) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is (5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID50865333
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name(5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCC1=CC(C)(C)N(C)c2cc(F)c(/C=C3\SC(=O)NC3=O)cc21
InChIInChI=1S/C17H17FN2O2S/c1-9-8-17(2,3)20(4)13-7-12(18)10(5-11(9)13)6-14-15(21)19-16(22)23-14/h5-8H,1-4H3,(H,19,21,22)/b14-6-
InChIKeyFMCXCCFLTHOFTN-NSIKDUERSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 50865340
methyl 2-[(5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 50865671
(5E)-5-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione
CID 50867670
(5E)-3-[(4-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50865515
(5E)-3-ethyl-5-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50867646
(5Z)-1-(4-bromo-2-methylphenyl)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 50865744
(5Z)-2-(2,3-dichlorophenyl)imino-5-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
CID 136831806
(5E)-3-[(2-fluorophenyl)methyl]-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 50865522
(5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 50865735
(5E)-5-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50867655
(5Z)-3-butan-2-yl-5-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50867421
(5E)-5-[(1,2,2,4,7-pentamethylquinolin-6-yl)methylidene]imidazolidine-2,4-dione
CID 99887422

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 50865333) is (5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione is CC1=CC(C)(C)N(C)c2cc(F)c(/C=C3\SC(=O)NC3=O)cc21.
What is the InChIKey of (5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is FMCXCCFLTHOFTN-NSIKDUERSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-9-8-17(2,3)20(4)13-7-12(18)10(5-11(9)13)6-14-15(21)19-16(22)23-14/h5-8H,1-4H3,(H,19,21,22)/b14-6-.
What are the key properties of (5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 332.40 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 50865333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).