5-[(3-fluoro-4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione

C10H5FN2O4S — CID 71378270

IUPAC5-[(3-fluoro-4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc([N+](=O)[O-])c(F)c2)S1
InChIInChI=1S/C10H5FN2O4S/c11-6-3-5(1-2-7(6)13(16)17)4-8-9(14)12-10(15)18-8/h1-4H,(H,12,14,15)
InChIKeyMFMXWJWCEUWCLZ-UHFFFAOYSA-N
MW268.23 g/mol
LogP2.06
Rot. Bonds2

About 5-[(3-fluoro-4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione

5-[(3-fluoro-4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 71378270) has the molecular formula C10H5FN2O4S and a molecular weight of 268.23 g/mol. Its IUPAC name is 5-[(3-fluoro-4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-fluoro-4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID71378270
Molecular FormulaC10H5FN2O4S
Molecular Weight268.23 g/mol
Exact Mass268.00
IUPAC Name5-[(3-fluoro-4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc([N+](=O)[O-])c(F)c2)S1
InChIInChI=1S/C10H5FN2O4S/c11-6-3-5(1-2-7(6)13(16)17)4-8-9(14)12-10(15)18-8/h1-4H,(H,12,14,15)
InChIKeyMFMXWJWCEUWCLZ-UHFFFAOYSA-N
XLogP2.06
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1379699
(5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25067903
(5Z)-5-[[4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 58591643
5-[[3-methoxy-4-[4-nitro-3-(trifluoromethyl)phenoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 73026655
(5E)-5-[[3-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 6524395
(5Z)-5-[(4-bromo-3-nitrophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154791245
(5Z)-5-[(4-fluorophenyl)methylidene]-2-(2-nitrophenyl)imino-1,3-thiazolidin-4-one
CID 137165816
(5Z)-2-(2-fluorophenyl)imino-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137140282
(5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1397819
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243892
(5Z)-5-[[4-(3-chloro-4-fluorophenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 25068029
(5Z)-5-[(4-ethyl-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2635618

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(3-fluoro-4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 71378270) is 5-[(3-fluoro-4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(3-fluoro-4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(3-fluoro-4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(=Cc2ccc([N+](=O)[O-])c(F)c2)S1.
What is the InChIKey of 5-[(3-fluoro-4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is MFMXWJWCEUWCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FN2O4S/c11-6-3-5(1-2-7(6)13(16)17)4-8-9(14)12-10(15)18-8/h1-4H,(H,12,14,15).
What are the key properties of 5-[(3-fluoro-4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
5-[(3-fluoro-4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 268.23 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 71378270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).