(2Z,5S)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C16H14FN3O2S — CID 40963377

IUPAC(2Z,5S)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC[C@@H]1S/C(=N\N=C\c2ccco2)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H14FN3O2S/c1-2-14-15(21)20(12-7-5-11(17)6-8-12)16(23-14)19-18-10-13-4-3-9-22-13/h3-10,14H,2H2,1H3/b18-10+,19-16-/t14-/m0/s1
InChIKeyXCNZYAJNAYUKSU-MSGJMHGSSA-N
MW331.37 g/mol
LogP3.67
Rot. Bonds4

About (2Z,5S)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z,5S)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 40963377) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is (2Z,5S)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5S)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID40963377
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC Name(2Z,5S)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC[C@@H]1S/C(=N\N=C\c2ccco2)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H14FN3O2S/c1-2-14-15(21)20(12-7-5-11(17)6-8-12)16(23-14)19-18-10-13-4-3-9-22-13/h3-10,14H,2H2,1H3/b18-10+,19-16-/t14-/m0/s1
InChIKeyXCNZYAJNAYUKSU-MSGJMHGSSA-N
XLogP3.67
TPSA58.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(2E,5S)-5-ethyl-3-(4-fluorophenyl)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 40785238
2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methoxyphenyl)methyl]-3-phenyl-1,3-thiazolidin-4-one
CID 3106377
(2Z,5R)-5-ethyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 7403799
2-(furan-2-ylmethylidenehydrazinylidene)-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 3773115
(5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one
CID 137195334
2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 2855983
(2Z,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 7431599
(2Z)-5-ethyl-3-(4-hydroxyphenyl)-2-[(E)-(6-phenyl-2-prop-2-enylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 155560242
(2E)-5-ethyl-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one;2-[(2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135707041
(2Z,5R)-5-[(3-chlorophenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 7472482
(2Z,6R)-N-(4-fluorophenyl)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 136820431
(2E,6R)-N-(4-fluorophenyl)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxamide
CID 135796931

Frequently Asked Questions

What is the IUPAC name of (2Z,5S)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5S)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 40963377) is (2Z,5S)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5S)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5S)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is CC[C@@H]1S/C(=N\N=C\c2ccco2)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of (2Z,5S)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is XCNZYAJNAYUKSU-MSGJMHGSSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-2-14-15(21)20(12-7-5-11(17)6-8-12)16(23-14)19-18-10-13-4-3-9-22-13/h3-10,14H,2H2,1H3/b18-10+,19-16-/t14-/m0/s1.
What are the key properties of (2Z,5S)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z,5S)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 331.37 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5S)-5-ethyl-3-(4-fluorophenyl)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 40963377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).