[2-methoxy-5-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]methyl acetate

C14H15N3O4S — CID 168573950

IUPAC[2-methoxy-5-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]methyl acetate
SMILESCOc1ccc(C=NN=C2NC(=O)CS2)cc1COC(C)=O
InChIInChI=1S/C14H15N3O4S/c1-9(18)21-7-11-5-10(3-4-12(11)20-2)6-15-17-14-16-13(19)8-22-14/h3-6H,7-8H2,1-2H3,(H,16,17,19)
InChIKeyVZNAKVDGEQQBDD-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.31
Rot. Bonds5

About [2-methoxy-5-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]methyl acetate

[2-methoxy-5-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]methyl acetate (PubChem CID 168573950) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is [2-methoxy-5-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]methyl acetate.

Molecular Properties

Compound Name[2-methoxy-5-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]methyl acetate
PubChem CID168573950
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name[2-methoxy-5-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]methyl acetate
SMILESCOc1ccc(C=NN=C2NC(=O)CS2)cc1COC(C)=O
InChIInChI=1S/C14H15N3O4S/c1-9(18)21-7-11-5-10(3-4-12(11)20-2)6-15-17-14-16-13(19)8-22-14/h3-6H,7-8H2,1-2H3,(H,16,17,19)
InChIKeyVZNAKVDGEQQBDD-UHFFFAOYSA-N
XLogP1.31
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]ethyl acetate
CID 168576098
2-[[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576641
2-[(4-methoxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576131
4-methoxy-3-[[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]methyl]benzaldehyde
CID 168575463
2-[[4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573938
2-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576623
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135454338
2-[[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573960
2-[[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573940
2-[(Z)-(3-ethoxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136663997
2-[[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575248
2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576322

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]methyl acetate?
The IUPAC name of [2-methoxy-5-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]methyl acetate (CID 168573950) is [2-methoxy-5-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]methyl acetate.
What is the SMILES notation for [2-methoxy-5-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]methyl acetate?
The canonical SMILES for [2-methoxy-5-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]methyl acetate is COc1ccc(C=NN=C2NC(=O)CS2)cc1COC(C)=O.
What is the InChIKey of [2-methoxy-5-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]methyl acetate?
The InChIKey is VZNAKVDGEQQBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-9(18)21-7-11-5-10(3-4-12(11)20-2)6-15-17-14-16-13(19)8-22-14/h3-6H,7-8H2,1-2H3,(H,16,17,19).
What are the key properties of [2-methoxy-5-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]methyl acetate?
[2-methoxy-5-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]methyl acetate has a molecular weight of 321.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]methyl acetate is sourced from PubChem (CID 168573950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).