(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one

C16H15N3O3S — CID 135439641

IUPAC(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1ccccc1CC1S/C(=N/N=C/c2ccco2)NC1=O
InChIInChI=1S/C16H15N3O3S/c1-21-13-7-3-2-5-11(13)9-14-15(20)18-16(23-14)19-17-10-12-6-4-8-22-12/h2-8,10,14H,9H2,1H3,(H,18,19,20)/b17-10+
InChIKeyJZGWNEGPTUVELP-LICLKQGHSA-N
MW329.38 g/mol
LogP2.45
Rot. Bonds5

About (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one

(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135439641) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135439641
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1ccccc1CC1S/C(=N/N=C/c2ccco2)NC1=O
InChIInChI=1S/C16H15N3O3S/c1-21-13-7-3-2-5-11(13)9-14-15(20)18-16(23-14)19-17-10-12-6-4-8-22-12/h2-8,10,14H,9H2,1H3,(H,18,19,20)/b17-10+
InChIKeyJZGWNEGPTUVELP-LICLKQGHSA-N
XLogP2.45
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.45
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

(2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135850176
(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
(5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one
CID 137195334
5-[(4-bromophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135465250
(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 135815216
(2Z,5R)-5-[(4-butylphenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136728769
(2Z)-5-[(2-methoxyphenyl)methyl]-2-[(E)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135421675
(2Z)-5-[(3,4-dichlorophenyl)methyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135887063
(2E,5S)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135850163
2-[(2Z,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 136747832

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one (CID 135439641) is (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one is COc1ccccc1CC1S/C(=N/N=C/c2ccco2)NC1=O.
What is the InChIKey of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is JZGWNEGPTUVELP-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-21-13-7-3-2-5-11(13)9-14-15(20)18-16(23-14)19-17-10-12-6-4-8-22-12/h2-8,10,14H,9H2,1H3,(H,18,19,20)/b17-10+.
What are the key properties of (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 329.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135439641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).