2-[[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C22H25N3O3S — CID 168575248

IUPAC2-[[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C=NN=C2NC(=O)CS2)cc1COc1cc(C)ccc1C(C)C
InChIInChI=1S/C22H25N3O3S/c1-14(2)18-7-5-15(3)9-20(18)28-12-17-10-16(6-8-19(17)27-4)11-23-25-22-24-21(26)13-29-22/h5-11,14H,12-13H2,1-4H3,(H,24,25,26)
InChIKeyFVRYZADDKYHBPX-UHFFFAOYSA-N
MW411.53 g/mol
LogP4.26
Rot. Bonds7

About 2-[[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168575248) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 2-[[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168575248
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name2-[[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C=NN=C2NC(=O)CS2)cc1COc1cc(C)ccc1C(C)C
InChIInChI=1S/C22H25N3O3S/c1-14(2)18-7-5-15(3)9-20(18)28-12-17-10-16(6-8-19(17)27-4)11-23-25-22-24-21(26)13-29-22/h5-11,14H,12-13H2,1-4H3,(H,24,25,26)
InChIKeyFVRYZADDKYHBPX-UHFFFAOYSA-N
XLogP4.26
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.26
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

2-[[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573960
4-methoxy-3-[[2-methoxy-4-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]methyl]benzaldehyde
CID 168575463
2-[[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576641
2-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576623
2-[(4-methoxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576131
2-[[4-methoxy-3-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573938
2-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576314
2-[[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573940
[2-methoxy-5-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenyl]methyl acetate
CID 168573950
[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazine
CID 168531004
2-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576564
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135454338

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168575248) is 2-[[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1ccc(C=NN=C2NC(=O)CS2)cc1COc1cc(C)ccc1C(C)C.
What is the InChIKey of 2-[[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is FVRYZADDKYHBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-14(2)18-7-5-15(3)9-20(18)28-12-17-10-16(6-8-19(17)27-4)11-23-25-22-24-21(26)13-29-22/h5-11,14H,12-13H2,1-4H3,(H,24,25,26).
What are the key properties of 2-[[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 411.53 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168575248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).