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

C14H11N3O2S — CID 135603935

IUPAC(2E,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C/c2ccco2)S[C@H]1c1ccccc1
InChIInChI=1S/C14H11N3O2S/c18-13-12(10-5-2-1-3-6-10)20-14(16-13)17-15-9-11-7-4-8-19-11/h1-9,12H,(H,16,17,18)/b15-9-/t12-/m0/s1
InChIKeyAJSTWFHGCRTEHS-ZENNRRHLSA-N
MW285.33 g/mol
LogP2.57
Rot. Bonds3

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

(2E,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one (PubChem CID 135603935) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is (2E,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
PubChem CID135603935
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name(2E,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\N=C/c2ccco2)S[C@H]1c1ccccc1
InChIInChI=1S/C14H11N3O2S/c18-13-12(10-5-2-1-3-6-10)20-14(16-13)17-15-9-11-7-4-8-19-11/h1-9,12H,(H,16,17,18)/b15-9-/t12-/m0/s1
InChIKeyAJSTWFHGCRTEHS-ZENNRRHLSA-N
XLogP2.57
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
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

(2Z,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135850813
2-[(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135444282
(2Z)-2-[(E)-(4-fluorophenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135650471
2-[(4-tert-butylphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135513567
(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 135815216
(5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one
CID 137195334
2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazinane-6-carboxylic acid
CID 137190764
2-(furan-2-ylmethylidenehydrazinylidene)-4-oxo-1,3-thiazinane-6-carboxylic acid
CID 135492618
(2Z,5R)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 136822492
(2E)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135798981
(2Z)-2-[(E)-1,3-benzodioxol-5-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 135523730
5-[(4-bromophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135465250

Frequently Asked Questions

What is the IUPAC name of (2E,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one (CID 135603935) is (2E,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one is O=C1N/C(=N\N=C/c2ccco2)S[C@H]1c1ccccc1.
What is the InChIKey of (2E,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
The InChIKey is AJSTWFHGCRTEHS-ZENNRRHLSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-13-12(10-5-2-1-3-6-10)20-14(16-13)17-15-9-11-7-4-8-19-11/h1-9,12H,(H,16,17,18)/b15-9-/t12-/m0/s1.
What are the key properties of (2E,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one?
(2E,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one has a molecular weight of 285.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135603935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).