(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one

C18H13ClFN3O3S — CID 9485753

IUPAC(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1F
InChIInChI=1S/C18H13ClFN3O3S/c1-2-22-17(24)16(10-11-7-8-12(19)15(9-11)23(25)26)27-18(22)21-14-6-4-3-5-13(14)20/h3-10H,2H2,1H3/b16-10+,21-18-
InChIKeyARKGYTLIHXDJMC-WPKWFYOXSA-N
MW405.84 g/mol
LogP5.01
Rot. Bonds4

About (5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one

(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 9485753) has the molecular formula C18H13ClFN3O3S and a molecular weight of 405.84 g/mol. Its IUPAC name is (5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID9485753
Molecular FormulaC18H13ClFN3O3S
Molecular Weight405.84 g/mol
Exact Mass405.04
IUPAC Name(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1F
InChIInChI=1S/C18H13ClFN3O3S/c1-2-22-17(24)16(10-11-7-8-12(19)15(9-11)23(25)26)27-18(22)21-14-6-4-3-5-13(14)20/h3-10H,2H2,1H3/b16-10+,21-18-
InChIKeyARKGYTLIHXDJMC-WPKWFYOXSA-N
XLogP5.01
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.84
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-2-(2-fluorophenyl)imino-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)-3-ethyl-2-(2-fluorophenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9485732
(5Z)-3-benzyl-5-[(4-chloro-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6523041
(5E)-3-ethyl-2-(4-fluorophenyl)imino-5-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 126236725
(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-(2-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126338954
2-[(5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]ethyl-diethylazanium
CID 2470329
(5E)-2-(2-chlorophenyl)imino-3-ethyl-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8556302
(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843315
(5E)-2-(2,4-difluorophenyl)imino-3-ethyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 9486108
2-[4-[(E)-[2-(2-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 9486298
(5Z)-3-[(3-bromophenyl)methyl]-5-[(4-chloro-3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126175274
3-[[5-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 4764968
(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-ethyl-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 18843830

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one (CID 9485753) is (5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one is CCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1F.
What is the InChIKey of (5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is ARKGYTLIHXDJMC-WPKWFYOXSA-N. The full InChI is InChI=1S/C18H13ClFN3O3S/c1-2-22-17(24)16(10-11-7-8-12(19)15(9-11)23(25)26)27-18(22)21-14-6-4-3-5-13(14)20/h3-10H,2H2,1H3/b16-10+,21-18-.
What are the key properties of (5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one?
(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 405.84 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-3-ethyl-2-(2-fluorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 9485753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).