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

C15H18FN3O2S — CID 168574286

IUPAC2-[(3-fluoro-5-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCCCOc1cc(F)cc(C=NN=C2NC(=O)CS2)c1
InChIInChI=1S/C15H18FN3O2S/c1-2-3-4-5-21-13-7-11(6-12(16)8-13)9-17-19-15-18-14(20)10-22-15/h6-9H,2-5,10H2,1H3,(H,18,19,20)
InChIKeyBATNEMQTPPRWCI-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.95
Rot. Bonds7

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

2-[(3-fluoro-5-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574286) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[(3-fluoro-5-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(3-fluoro-5-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574286
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name2-[(3-fluoro-5-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCCCCOc1cc(F)cc(C=NN=C2NC(=O)CS2)c1
InChIInChI=1S/C15H18FN3O2S/c1-2-3-4-5-21-13-7-11(6-12(16)8-13)9-17-19-15-18-14(20)10-22-15/h6-9H,2-5,10H2,1H3,(H,18,19,20)
InChIKeyBATNEMQTPPRWCI-UHFFFAOYSA-N
XLogP2.95
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-5-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(3-fluoro-5-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574286) is 2-[(3-fluoro-5-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(3-fluoro-5-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(3-fluoro-5-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCCCCOc1cc(F)cc(C=NN=C2NC(=O)CS2)c1.
What is the InChIKey of 2-[(3-fluoro-5-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is BATNEMQTPPRWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-2-3-4-5-21-13-7-11(6-12(16)8-13)9-17-19-15-18-14(20)10-22-15/h6-9H,2-5,10H2,1H3,(H,18,19,20).
What are the key properties of 2-[(3-fluoro-5-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(3-fluoro-5-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 323.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-5-pentoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).