(5E)-2-(2,4-difluorophenyl)imino-3-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one

C21H19F2N3OS — CID 8556162

IUPAC(5E)-2-(2,4-difluorophenyl)imino-3-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)S/C1=N\c1ccc(F)cc1F
InChIInChI=1S/C21H19F2N3OS/c1-25-20(27)19(28-21(25)24-18-9-6-15(22)13-17(18)23)12-14-4-7-16(8-5-14)26-10-2-3-11-26/h4-9,12-13H,2-3,10-11H2,1H3/b19-12+,24-21-
InChIKeyPXVBYJKLLJITHX-KBEOOMRJSA-N
MW399.47 g/mol
LogP4.80
Rot. Bonds3

About (5E)-2-(2,4-difluorophenyl)imino-3-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one

(5E)-2-(2,4-difluorophenyl)imino-3-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 8556162) has the molecular formula C21H19F2N3OS and a molecular weight of 399.47 g/mol. Its IUPAC name is (5E)-2-(2,4-difluorophenyl)imino-3-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(2,4-difluorophenyl)imino-3-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID8556162
Molecular FormulaC21H19F2N3OS
Molecular Weight399.47 g/mol
Exact Mass399.12
IUPAC Name(5E)-2-(2,4-difluorophenyl)imino-3-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)S/C1=N\c1ccc(F)cc1F
InChIInChI=1S/C21H19F2N3OS/c1-25-20(27)19(28-21(25)24-18-9-6-15(22)13-17(18)23)12-14-4-7-16(8-5-14)26-10-2-3-11-26/h4-9,12-13H,2-3,10-11H2,1H3/b19-12+,24-21-
InChIKeyPXVBYJKLLJITHX-KBEOOMRJSA-N
XLogP4.80
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.80
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5E)-2-(2,4-difluorophenyl)imino-3-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one 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-[(4-chlorophenyl)methylidene]-2-(2,4-difluorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
CID 9486023
(5Z)-2-(2,4-difluorophenyl)imino-5-[(4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9485982
2-[4-[(E)-[2-(2,4-difluorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetonitrile
CID 9486068
(5E)-2-(2,4-difluorophenyl)imino-5-(furan-2-ylmethylidene)-3-methyl-1,3-thiazolidin-4-one
CID 9486062
(5E)-2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9485896
(5Z)-3-methyl-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 126107086
(5E)-2-(2,4-difluorophenyl)imino-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 9486012
(5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9486108
(5E)-2-(4-fluorophenyl)imino-3-methyl-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9485861
(5E)-2-(2-chlorophenyl)imino-3-methyl-5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8556230
(5E)-5-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 126082261
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-5-[(4-fluorophenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 18843212

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(2,4-difluorophenyl)imino-3-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(2,4-difluorophenyl)imino-3-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 8556162) is (5E)-2-(2,4-difluorophenyl)imino-3-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(2,4-difluorophenyl)imino-3-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(2,4-difluorophenyl)imino-3-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one is CN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)S/C1=N\c1ccc(F)cc1F.
What is the InChIKey of (5E)-2-(2,4-difluorophenyl)imino-3-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is PXVBYJKLLJITHX-KBEOOMRJSA-N. The full InChI is InChI=1S/C21H19F2N3OS/c1-25-20(27)19(28-21(25)24-18-9-6-15(22)13-17(18)23)12-14-4-7-16(8-5-14)26-10-2-3-11-26/h4-9,12-13H,2-3,10-11H2,1H3/b19-12+,24-21-.
What are the key properties of (5E)-2-(2,4-difluorophenyl)imino-3-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(2,4-difluorophenyl)imino-3-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 399.47 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(2,4-difluorophenyl)imino-3-methyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 8556162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).