(5E)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

C25H17FN2O2S — CID 21377360

IUPAC(5E)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)N1Cc1cccc2ccccc12
InChIInChI=1S/C25H17FN2O2S/c26-19-10-12-20(13-11-19)27-14-4-8-21(27)15-23-24(29)28(25(30)31-23)16-18-7-3-6-17-5-1-2-9-22(17)18/h1-15H,16H2/b23-15+
InChIKeyMXCQLXHAXKWVAO-HZHRSRAPSA-N
MW428.49 g/mol
LogP6.01
Rot. Bonds4

About (5E)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

(5E)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 21377360) has the molecular formula C25H17FN2O2S and a molecular weight of 428.49 g/mol. Its IUPAC name is (5E)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
PubChem CID21377360
Molecular FormulaC25H17FN2O2S
Molecular Weight428.49 g/mol
Exact Mass428.10
IUPAC Name(5E)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)N1Cc1cccc2ccccc12
InChIInChI=1S/C25H17FN2O2S/c26-19-10-12-20(13-11-19)27-14-4-8-21(27)15-23-24(29)28(25(30)31-23)16-18-7-3-6-17-5-1-2-9-22(17)18/h1-15H,16H2/b23-15+
InChIKeyMXCQLXHAXKWVAO-HZHRSRAPSA-N
XLogP6.01
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5E)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(naphthalen-1-ylmethyl)-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-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(2-methoxyethyl)-1,3-thiazolidine-2,4-dione
CID 126133114
5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidine-2,4-dione
CID 1311065
(5E)-5-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 21377152
2-[[(5E)-2,4-dioxo-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1,3-thiazolidin-3-yl]methyl]benzonitrile
CID 126181300
5-[(4-methylphenyl)methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 3486613
(5Z)-3-[(4-methylphenyl)methyl]-5-[(1-naphthalen-2-ylpyrrol-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 21374628
(5E)-5-[[1-[4-[(4-fluorophenyl)methoxy]phenyl]-2,5-dimethylpyrrol-3-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 21376942
(5E)-5-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 21376890
(5Z)-3-[(2-chlorophenyl)methyl]-5-[[1-(3-nitrophenyl)pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 6511124
5-[(1-phenylpyrrol-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 1334258
2-[(5E)-5-[[1-(4-iodophenyl)pyrrol-2-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
CID 6520390
(5E)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
CID 126073478

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione (CID 21377360) is (5E)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione is O=C1S/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)N1Cc1cccc2ccccc12.
What is the InChIKey of (5E)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is MXCQLXHAXKWVAO-HZHRSRAPSA-N. The full InChI is InChI=1S/C25H17FN2O2S/c26-19-10-12-20(13-11-19)27-14-4-8-21(27)15-23-24(29)28(25(30)31-23)16-18-7-3-6-17-5-1-2-9-22(17)18/h1-15H,16H2/b23-15+.
What are the key properties of (5E)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione?
(5E)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 428.49 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[1-(4-fluorophenyl)pyrrol-2-yl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 21377360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).