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

C18H19FN2O2S — CID 50865340

IUPAC(5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCC1=CC(C)(C)N(C)c2cc(F)c(/C=C3\SC(=O)N(C)C3=O)cc21
InChIInChI=1S/C18H19FN2O2S/c1-10-9-18(2,3)21(5)14-8-13(19)11(6-12(10)14)7-15-16(22)20(4)17(23)24-15/h6-9H,1-5H3/b15-7-
InChIKeyIFLYJTYOHBSVDE-CHHVJCJISA-N
MW346.43 g/mol
LogP4.12
Rot. Bonds1

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

(5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 50865340) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is (5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
PubChem CID50865340
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC Name(5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCC1=CC(C)(C)N(C)c2cc(F)c(/C=C3\SC(=O)N(C)C3=O)cc21
InChIInChI=1S/C18H19FN2O2S/c1-10-9-18(2,3)21(5)14-8-13(19)11(6-12(10)14)7-15-16(22)20(4)17(23)24-15/h6-9H,1-5H3/b15-7-
InChIKeyIFLYJTYOHBSVDE-CHHVJCJISA-N
XLogP4.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.12
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (CID 50865340) is (5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione is CC1=CC(C)(C)N(C)c2cc(F)c(/C=C3\SC(=O)N(C)C3=O)cc21.
What is the InChIKey of (5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is IFLYJTYOHBSVDE-CHHVJCJISA-N. The full InChI is InChI=1S/C18H19FN2O2S/c1-10-9-18(2,3)21(5)14-8-13(19)11(6-12(10)14)7-15-16(22)20(4)17(23)24-15/h6-9H,1-5H3/b15-7-.
What are the key properties of (5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 346.43 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 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]-3-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 50865340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).