2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C15H17FN4OS — CID 168574449

IUPAC2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1cc(N2CCCC2)c(F)cc1C=NN=C1NC(=O)CS1
InChIInChI=1S/C15H17FN4OS/c1-10-6-13(20-4-2-3-5-20)12(16)7-11(10)8-17-19-15-18-14(21)9-22-15/h6-8H,2-5,9H2,1H3,(H,18,19,21)
InChIKeyXXURSBYHTVXFOS-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.29
Rot. Bonds3

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

2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168574449) has the molecular formula C15H17FN4OS and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168574449
Molecular FormulaC15H17FN4OS
Molecular Weight320.39 g/mol
Exact Mass320.11
IUPAC Name2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1cc(N2CCCC2)c(F)cc1C=NN=C1NC(=O)CS1
InChIInChI=1S/C15H17FN4OS/c1-10-6-13(20-4-2-3-5-20)12(16)7-11(10)8-17-19-15-18-14(21)9-22-15/h6-8H,2-5,9H2,1H3,(H,18,19,21)
InChIKeyXXURSBYHTVXFOS-UHFFFAOYSA-N
XLogP2.29
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168574449) is 2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1cc(N2CCCC2)c(F)cc1C=NN=C1NC(=O)CS1.
What is the InChIKey of 2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is XXURSBYHTVXFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS/c1-10-6-13(20-4-2-3-5-20)12(16)7-11(10)8-17-19-15-18-14(21)9-22-15/h6-8H,2-5,9H2,1H3,(H,18,19,21).
What are the key properties of 2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 320.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168574449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).