(2Z)-5-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C20H20FN3O2S — CID 135800830

IUPAC(2Z)-5-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC(C)Oc1ccccc1C=N/N=C1/NC(=O)C(Cc2ccc(F)cc2)S1
InChIInChI=1S/C20H20FN3O2S/c1-13(2)26-17-6-4-3-5-15(17)12-22-24-20-23-19(25)18(27-20)11-14-7-9-16(21)10-8-14/h3-10,12-13,18H,11H2,1-2H3,(H,23,24,25)
InChIKeyXJSNDYSSXHTIMG-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.78
Rot. Bonds6

About (2Z)-5-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-5-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135800830) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is (2Z)-5-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135800830
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name(2Z)-5-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC(C)Oc1ccccc1C=N/N=C1/NC(=O)C(Cc2ccc(F)cc2)S1
InChIInChI=1S/C20H20FN3O2S/c1-13(2)26-17-6-4-3-5-15(17)12-22-24-20-23-19(25)18(27-20)11-14-7-9-16(21)10-8-14/h3-10,12-13,18H,11H2,1-2H3,(H,23,24,25)
InChIKeyXJSNDYSSXHTIMG-UHFFFAOYSA-N
XLogP3.78
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.78
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

(2E)-2-[[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135666059
(2Z,5R)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 136773708
(2E)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135599453
(2E)-2-[(E)-(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135643804
(2Z,5R)-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135951942
(2Z)-5-[(4-bromophenyl)methyl]-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135930660
(2E,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135726136
(2Z)-2-[(2-butoxyphenyl)methylidenehydrazinylidene]-5-[(4-ethylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135681471
(2E)-5-[(4-ethoxyphenyl)methyl]-2-[(E)-(2-prop-2-enoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135712195
(5R)-2-[(2-hydroxyphenyl)methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 137231427
(2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135473256
2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 172942203

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135800830) is (2Z)-5-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CC(C)Oc1ccccc1C=N/N=C1/NC(=O)C(Cc2ccc(F)cc2)S1.
What is the InChIKey of (2Z)-5-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is XJSNDYSSXHTIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-13(2)26-17-6-4-3-5-15(17)12-22-24-20-23-19(25)18(27-20)11-14-7-9-16(21)10-8-14/h3-10,12-13,18H,11H2,1-2H3,(H,23,24,25).
What are the key properties of (2Z)-5-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-5-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 385.46 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135800830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).