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

C17H15N3O3S — CID 135706911

IUPAC(2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(C(=O)CC2S/C(=N/N=C\c3ccco3)NC2=O)cc1
InChIInChI=1S/C17H15N3O3S/c1-11-4-6-12(7-5-11)14(21)9-15-16(22)19-17(24-15)20-18-10-13-3-2-8-23-13/h2-8,10,15H,9H2,1H3,(H,19,20,22)/b18-10-
InChIKeyXAHADSWHKDSDKD-ZDLGFXPLSA-N
MW341.39 g/mol
LogP2.78
Rot. Bonds5

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

(2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one (PubChem CID 135706911) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is (2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
PubChem CID135706911
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name(2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESCc1ccc(C(=O)CC2S/C(=N/N=C\c3ccco3)NC2=O)cc1
InChIInChI=1S/C17H15N3O3S/c1-11-4-6-12(7-5-11)14(21)9-15-16(22)19-17(24-15)20-18-10-13-3-2-8-23-13/h2-8,10,15H,9H2,1H3,(H,19,20,22)/b18-10-
InChIKeyXAHADSWHKDSDKD-ZDLGFXPLSA-N
XLogP2.78
TPSA84.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.78
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

(2Z)-5-[2-(2,5-dimethylphenyl)-2-oxoethyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135757194
(2E)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135798981
2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135455712
(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135421677
2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,3-thiazolidin-4-one
CID 172945087
(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
4-[[2-[(2E,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 135852296
(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
4-[[2-[(2E,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 135659655
(2E)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 135706901
(2S)-2-[[2-[(2E,5R)-2-(furan-2-ylmethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid
CID 135816842

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one (CID 135706911) is (2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one is Cc1ccc(C(=O)CC2S/C(=N/N=C\c3ccco3)NC2=O)cc1.
What is the InChIKey of (2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The InChIKey is XAHADSWHKDSDKD-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-11-4-6-12(7-5-11)14(21)9-15-16(22)19-17(24-15)20-18-10-13-3-2-8-23-13/h2-8,10,15H,9H2,1H3,(H,19,20,22)/b18-10-.
What are the key properties of (2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one?
(2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one has a molecular weight of 341.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135706911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).