2-[(6-fluoro-2-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C11H9FN4O3S — CID 168575058

IUPAC2-[(6-fluoro-2-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1c([N+](=O)[O-])ccc(F)c1C=NN=C1NC(=O)CS1
InChIInChI=1S/C11H9FN4O3S/c1-6-7(8(12)2-3-9(6)16(18)19)4-13-15-11-14-10(17)5-20-11/h2-4H,5H2,1H3,(H,14,15,17)
InChIKeyQYFPTMKUYZOFRX-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.60
Rot. Bonds3

About 2-[(6-fluoro-2-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(6-fluoro-2-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168575058) has the molecular formula C11H9FN4O3S and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[(6-fluoro-2-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(6-fluoro-2-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168575058
Molecular FormulaC11H9FN4O3S
Molecular Weight296.28 g/mol
Exact Mass296.04
IUPAC Name2-[(6-fluoro-2-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1c([N+](=O)[O-])ccc(F)c1C=NN=C1NC(=O)CS1
InChIInChI=1S/C11H9FN4O3S/c1-6-7(8(12)2-3-9(6)16(18)19)4-13-15-11-14-10(17)5-20-11/h2-4H,5H2,1H3,(H,14,15,17)
InChIKeyQYFPTMKUYZOFRX-UHFFFAOYSA-N
XLogP1.60
TPSA96.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(6-fluoro-2-methyl-3-nitrophenyl)methylidenehydrazinylidene]-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

(2E)-2-[(Z)-[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135779959
2-[(4-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576284
2-[(2-fluoro-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574490
2-[(2-chloro-6-fluoro-3-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574458
2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137184938
(2E)-2-[(Z)-[5-(3-methyl-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135582314
2-[[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575066
(2Z)-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734362
2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135909095
4-nitro-2-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenolate
CID 135851503
2-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574455
(2Z)-2-[[5-(3-chloro-4-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135585370

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(6-fluoro-2-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168575058) is 2-[(6-fluoro-2-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(6-fluoro-2-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(6-fluoro-2-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1c([N+](=O)[O-])ccc(F)c1C=NN=C1NC(=O)CS1.
What is the InChIKey of 2-[(6-fluoro-2-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is QYFPTMKUYZOFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O3S/c1-6-7(8(12)2-3-9(6)16(18)19)4-13-15-11-14-10(17)5-20-11/h2-4H,5H2,1H3,(H,14,15,17).
What are the key properties of 2-[(6-fluoro-2-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(6-fluoro-2-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 296.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-methyl-3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168575058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).