(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one

C20H20FN3OS — CID 46861462

IUPAC(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
SMILESCCCC1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C20H20FN3OS/c1-2-6-18-19(25)24(14-16-9-11-17(21)12-10-16)20(26-18)23-22-13-15-7-4-3-5-8-15/h3-5,7-13,18H,2,6,14H2,1H3/b22-13+,23-20-
InChIKeyMJRLYDONLOUCPS-JWKPFVQPSA-N
MW369.47 g/mol
LogP4.46
Rot. Bonds6

About (2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one

(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one (PubChem CID 46861462) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is (2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
PubChem CID46861462
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
SMILESCCCC1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C20H20FN3OS/c1-2-6-18-19(25)24(14-16-9-11-17(21)12-10-16)20(26-18)23-22-13-15-7-4-3-5-8-15/h3-5,7-13,18H,2,6,14H2,1H3/b22-13+,23-20-
InChIKeyMJRLYDONLOUCPS-JWKPFVQPSA-N
XLogP4.46
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one (CID 46861462) is (2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one is CCCC1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of (2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?
The InChIKey is MJRLYDONLOUCPS-JWKPFVQPSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-2-6-18-19(25)24(14-16-9-11-17(21)12-10-16)20(26-18)23-22-13-15-7-4-3-5-8-15/h3-5,7-13,18H,2,6,14H2,1H3/b22-13+,23-20-.
What are the key properties of (2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one has a molecular weight of 369.47 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-benzylidenehydrazinylidene]-3-[(4-fluorophenyl)methyl]-5-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 46861462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).