5-[(2-chlorophenyl)methylidene]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one

C16H10ClN3O3S — CID 135563965

IUPAC5-[(2-chlorophenyl)methylidene]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc([N+](=O)[O-])cc2)SC1=Cc1ccccc1Cl
InChIInChI=1S/C16H10ClN3O3S/c17-13-4-2-1-3-10(13)9-14-15(21)19-16(24-14)18-11-5-7-12(8-6-11)20(22)23/h1-9H,(H,18,19,21)
InChIKeyKDAXFGGCFUMNDU-UHFFFAOYSA-N
MW359.79 g/mol
LogP4.14
Rot. Bonds3

About 5-[(2-chlorophenyl)methylidene]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one

5-[(2-chlorophenyl)methylidene]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135563965) has the molecular formula C16H10ClN3O3S and a molecular weight of 359.79 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylidene]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylidene]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one
PubChem CID135563965
Molecular FormulaC16H10ClN3O3S
Molecular Weight359.79 g/mol
Exact Mass359.01
IUPAC Name5-[(2-chlorophenyl)methylidene]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc([N+](=O)[O-])cc2)SC1=Cc1ccccc1Cl
InChIInChI=1S/C16H10ClN3O3S/c17-13-4-2-1-3-10(13)9-14-15(21)19-16(24-14)18-11-5-7-12(8-6-11)20(22)23/h1-9H,(H,18,19,21)
InChIKeyKDAXFGGCFUMNDU-UHFFFAOYSA-N
XLogP4.14
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 54.14
H-Bond Donors ≤ 51
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 5-[(2-chlorophenyl)methylidene]-2-(4-nitrophenyl)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

[2-[(E)-[2-(4-chlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-nitrobenzenesulfonate
CID 137063561
(5Z)-5-[(2-chlorophenyl)methylidene]-2-(3,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135602956
(5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135458961
(5E)-2-(3,4-dichlorophenyl)imino-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 136782365
2-(3,4-dichlorophenyl)imino-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135523330
(5Z)-5-[(2-nitrophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135628665
(5Z)-2-(2-chlorophenyl)imino-5-[(2-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135490668
(5Z)-5-[(2-chlorophenyl)methylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 135426206
2-(2,3-dichlorophenyl)imino-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 135429995
(5Z)-5-[[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137121792
(5E)-5-[(2-chlorophenyl)methylidene]-2-hydroxyimino-1,3-thiazolidin-4-one
CID 137223035
(5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-[(2-chloro-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137021239

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylidene]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(2-chlorophenyl)methylidene]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one (CID 135563965) is 5-[(2-chlorophenyl)methylidene]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(2-chlorophenyl)methylidene]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(2-chlorophenyl)methylidene]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc([N+](=O)[O-])cc2)SC1=Cc1ccccc1Cl.
What is the InChIKey of 5-[(2-chlorophenyl)methylidene]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is KDAXFGGCFUMNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O3S/c17-13-4-2-1-3-10(13)9-14-15(21)19-16(24-14)18-11-5-7-12(8-6-11)20(22)23/h1-9H,(H,18,19,21).
What are the key properties of 5-[(2-chlorophenyl)methylidene]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one?
5-[(2-chlorophenyl)methylidene]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 359.79 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylidene]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135563965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).