2-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C17H13Cl2N3O2S — CID 172929682

IUPAC2-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1
InChIInChI=1S/C17H13Cl2N3O2S/c18-13-5-4-12(15(19)7-13)9-24-14-3-1-2-11(6-14)8-20-22-17-21-16(23)10-25-17/h1-8H,9-10H2,(H,21,22,23)/b20-8+
InChIKeyVMGUCYXEDNUTSK-DNTJNYDQSA-N
MW394.28 g/mol
LogP4.13
Rot. Bonds5

About 2-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 172929682) has the molecular formula C17H13Cl2N3O2S and a molecular weight of 394.28 g/mol. Its IUPAC name is 2-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID172929682
Molecular FormulaC17H13Cl2N3O2S
Molecular Weight394.28 g/mol
Exact Mass393.01
IUPAC Name2-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CSC(=N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1
InChIInChI=1S/C17H13Cl2N3O2S/c18-13-5-4-12(15(19)7-13)9-24-14-3-1-2-11(6-14)8-20-22-17-21-16(23)10-25-17/h1-8H,9-10H2,(H,21,22,23)/b20-8+
InChIKeyVMGUCYXEDNUTSK-DNTJNYDQSA-N
XLogP4.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 54.13
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

2-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574177
2-[[3-[(2-bromo-5-fluorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574089
2-[[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573960
2-[[3-(methoxymethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574514
2-[[3-(2-methoxyethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576478
2-[2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168621060
4-[[3-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 168574061
2-[(3-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573973
2-[[3-(1,3-dioxolan-2-ylmethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574260
2-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575546
2-[[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573940
(2Z)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135926222

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 172929682) is 2-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1.
What is the InChIKey of 2-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is VMGUCYXEDNUTSK-DNTJNYDQSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2S/c18-13-5-4-12(15(19)7-13)9-24-14-3-1-2-11(6-14)8-20-22-17-21-16(23)10-25-17/h1-8H,9-10H2,(H,21,22,23)/b20-8+.
What are the key properties of 2-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 394.28 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 172929682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).