2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C17H14FN3O2S — CID 168575616

IUPAC2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(F)cc1-c1ccc(C=NN=C2NC(=O)CS2)cc1
InChIInChI=1S/C17H14FN3O2S/c1-23-15-7-6-13(18)8-14(15)12-4-2-11(3-5-12)9-19-21-17-20-16(22)10-24-17/h2-9H,10H2,1H3,(H,20,21,22)
InChIKeyUZBYVAGGEALRMO-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.05
Rot. Bonds4

About 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168575616) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168575616
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(F)cc1-c1ccc(C=NN=C2NC(=O)CS2)cc1
InChIInChI=1S/C17H14FN3O2S/c1-23-15-7-6-13(18)8-14(15)12-4-2-11(3-5-12)9-19-21-17-20-16(22)10-24-17/h2-9H,10H2,1H3,(H,20,21,22)
InChIKeyUZBYVAGGEALRMO-UHFFFAOYSA-N
XLogP3.05
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.05
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-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137319883
2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576126
(2Z)-2-[(E)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135454338
(2Z)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135823200
2-[[3-[(2,4-difluorophenoxy)methyl]-4-methoxyphenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576623
(2Z)-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734362
2-[(Z)-(3-ethoxy-4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136663997
2-[(3-methoxy-4-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573975
2-[(4-methoxy-3-prop-2-enylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576131
(2E)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135890207
2-[(3-methoxy-4-prop-2-enoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576322
(2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135800090

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168575616) is 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1ccc(F)cc1-c1ccc(C=NN=C2NC(=O)CS2)cc1.
What is the InChIKey of 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is UZBYVAGGEALRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c1-23-15-7-6-13(18)8-14(15)12-4-2-11(3-5-12)9-19-21-17-20-16(22)10-24-17/h2-9H,10H2,1H3,(H,20,21,22).
What are the key properties of 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 343.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168575616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).