2-(4-fluorophenyl)imino-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one

C21H14FN3O5S — CID 135464063

IUPAC2-(4-fluorophenyl)imino-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2S/C(=N/c3ccc(F)cc3)NC2=O)o1
InChIInChI=1S/C21H14FN3O5S/c1-29-17-8-6-14(25(27)28)10-16(17)18-9-7-15(30-18)11-19-20(26)24-21(31-19)23-13-4-2-12(22)3-5-13/h2-11H,1H3,(H,23,24,26)
InChIKeyGPFFCZNZWUUXQJ-UHFFFAOYSA-N
MW439.42 g/mol
LogP4.89
Rot. Bonds5

About 2-(4-fluorophenyl)imino-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one

2-(4-fluorophenyl)imino-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 135464063) has the molecular formula C21H14FN3O5S and a molecular weight of 439.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)imino-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)imino-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID135464063
Molecular FormulaC21H14FN3O5S
Molecular Weight439.42 g/mol
Exact Mass439.06
IUPAC Name2-(4-fluorophenyl)imino-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2S/C(=N/c3ccc(F)cc3)NC2=O)o1
InChIInChI=1S/C21H14FN3O5S/c1-29-17-8-6-14(25(27)28)10-16(17)18-9-7-15(30-18)11-19-20(26)24-21(31-19)23-13-4-2-12(22)3-5-13/h2-11H,1H3,(H,23,24,26)
InChIKeyGPFFCZNZWUUXQJ-UHFFFAOYSA-N
XLogP4.89
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'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'}

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Related Compounds

(5Z)-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137100069
(5Z)-2-(4-bromo-3,5-dimethylphenyl)imino-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 137020903
(5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-2-(4-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 137099983
(5Z)-5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-2-(2-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 137089149
(5Z)-2-(4-methoxyphenyl)imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 136782321
(5E)-2-(2-methoxyphenyl)imino-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135844528
(5Z)-2-(2-methoxyphenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 136782305
(5E)-2-(4-fluorophenyl)imino-5-[(4-methoxy-3-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137034501
(5Z)-2-(3,4-dimethylphenyl)imino-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 136782314
2-(4-butylphenyl)imino-5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135483061
(5E)-2-(4-butylphenyl)imino-5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135507900
5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135480912

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)imino-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)imino-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (CID 135464063) is 2-(4-fluorophenyl)imino-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)imino-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)imino-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2S/C(=N/c3ccc(F)cc3)NC2=O)o1.
What is the InChIKey of 2-(4-fluorophenyl)imino-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is GPFFCZNZWUUXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3O5S/c1-29-17-8-6-14(25(27)28)10-16(17)18-9-7-15(30-18)11-19-20(26)24-21(31-19)23-13-4-2-12(22)3-5-13/h2-11H,1H3,(H,23,24,26).
What are the key properties of 2-(4-fluorophenyl)imino-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)imino-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 439.42 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)imino-5-[[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135464063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).