(5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione

C15H15FN2O2S — CID 126082261

IUPAC(5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O
InChIInChI=1S/C15H15FN2O2S/c1-17-14(19)13(21-15(17)20)9-10-4-5-12(11(16)8-10)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3/b13-9+
InChIKeyYYXRZALYZQCJTM-UKTHLTGXSA-N
MW306.36 g/mol
LogP3.09
Rot. Bonds2

About (5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione

(5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 126082261) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is (5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
PubChem CID126082261
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name(5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCN1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O
InChIInChI=1S/C15H15FN2O2S/c1-17-14(19)13(21-15(17)20)9-10-4-5-12(11(16)8-10)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3/b13-9+
InChIKeyYYXRZALYZQCJTM-UKTHLTGXSA-N
XLogP3.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.09
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'}

Analyze (5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-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

(5E)-5-[(3-fluoro-4-piperidin-1-ylphenyl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 126109593
3-ethyl-5-[(3-fluoro-4-piperidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3895030
5-[(3-fluoro-4-morpholin-4-ylphenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 1210752
propan-2-yl 2-[(5E)-5-[(3-fluoro-4-piperidin-1-ylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 126104750
2-amino-5-[(3-fluoro-4-piperidin-1-ylphenyl)methylidene]-1,3-thiazol-4-one
CID 3942490
methyl 5-[[5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]furan-2-carboxylate
CID 4008600
(5Z)-2-(4-fluorophenyl)imino-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137076549
N-(2-chlorophenyl)-2-[(5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126234762
N-(4-ethoxyphenyl)-2-[(5Z)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126081218
(5Z)-2-(4-ethylphenyl)imino-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137076556
(5E)-2-(2,4-difluorophenyl)imino-3-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8556162
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 122711493

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (CID 126082261) is (5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione is CN1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O.
What is the InChIKey of (5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is YYXRZALYZQCJTM-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-17-14(19)13(21-15(17)20)9-10-4-5-12(11(16)8-10)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3/b13-9+.
What are the key properties of (5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?
(5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 306.36 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126082261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).