(2E)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one

C22H16FN3O3S — CID 135711877

IUPAC(2E)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one
SMILESO=C(CC1S/C(=N/N=C/c2ccc(-c3ccc(F)cc3)o2)NC1=O)c1ccccc1
InChIInChI=1S/C22H16FN3O3S/c23-16-8-6-15(7-9-16)19-11-10-17(29-19)13-24-26-22-25-21(28)20(30-22)12-18(27)14-4-2-1-3-5-14/h1-11,13,20H,12H2,(H,25,26,28)/b24-13+
InChIKeyAFXSFSNRTOEPHG-ZMOGYAJESA-N
MW421.45 g/mol
LogP4.28
Rot. Bonds6

About (2E)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one

(2E)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one (PubChem CID 135711877) has the molecular formula C22H16FN3O3S and a molecular weight of 421.45 g/mol. Its IUPAC name is (2E)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one
PubChem CID135711877
Molecular FormulaC22H16FN3O3S
Molecular Weight421.45 g/mol
Exact Mass421.09
IUPAC Name(2E)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one
SMILESO=C(CC1S/C(=N/N=C/c2ccc(-c3ccc(F)cc3)o2)NC1=O)c1ccccc1
InChIInChI=1S/C22H16FN3O3S/c23-16-8-6-15(7-9-16)19-11-10-17(29-19)13-24-26-22-25-21(28)20(30-22)12-18(27)14-4-2-1-3-5-14/h1-11,13,20H,12H2,(H,25,26,28)/b24-13+
InChIKeyAFXSFSNRTOEPHG-ZMOGYAJESA-N
XLogP4.28
TPSA84.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135427595
2-[(2Z,5R)-2-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135591637
2-[(2Z,5S)-2-[(Z)-[5-(4-ethoxycarbonylphenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135852151
N-(4-ethoxyphenyl)-2-[(2Z)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135575286
(2E)-5-benzyl-2-[(Z)-[5-(4-methylphenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135736260
2-[(2Z,5R)-2-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135876188
2-[(2E)-2-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135500852
(2E)-2-[[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one
CID 135907437
2-[(2Z)-2-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135599638
2-[(2E,5R)-2-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135622448
(2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 135706911
5-benzyl-2-[[5-(2-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135500177

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one (CID 135711877) is (2E)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one is O=C(CC1S/C(=N/N=C/c2ccc(-c3ccc(F)cc3)o2)NC1=O)c1ccccc1.
What is the InChIKey of (2E)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one?
The InChIKey is AFXSFSNRTOEPHG-ZMOGYAJESA-N. The full InChI is InChI=1S/C22H16FN3O3S/c23-16-8-6-15(7-9-16)19-11-10-17(29-19)13-24-26-22-25-21(28)20(30-22)12-18(27)14-4-2-1-3-5-14/h1-11,13,20H,12H2,(H,25,26,28)/b24-13+.
What are the key properties of (2E)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one?
(2E)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one has a molecular weight of 421.45 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-[5-(4-fluorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-phenacyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135711877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).