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

C22H18FN3OS — CID 71710841

IUPAC(2Z)-3-[(4-fluorophenyl)methyl]-5-methyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C22H18FN3OS/c1-15-21(27)26(14-16-9-11-19(23)12-10-16)22(28-15)25-24-13-18-7-4-6-17-5-2-3-8-20(17)18/h2-13,15H,14H2,1H3/b24-13+,25-22-
InChIKeyMUXARSJULIEDTL-ZKHPXSKESA-N
MW391.47 g/mol
LogP4.83
Rot. Bonds4

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

(2Z)-3-[(4-fluorophenyl)methyl]-5-methyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 71710841) has the molecular formula C22H18FN3OS and a molecular weight of 391.47 g/mol. Its IUPAC name is (2Z)-3-[(4-fluorophenyl)methyl]-5-methyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[(4-fluorophenyl)methyl]-5-methyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID71710841
Molecular FormulaC22H18FN3OS
Molecular Weight391.47 g/mol
Exact Mass391.12
IUPAC Name(2Z)-3-[(4-fluorophenyl)methyl]-5-methyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C22H18FN3OS/c1-15-21(27)26(14-16-9-11-19(23)12-10-16)22(28-15)25-24-13-18-7-4-6-17-5-2-3-8-20(17)18/h2-13,15H,14H2,1H3/b24-13+,25-22-
InChIKeyMUXARSJULIEDTL-ZKHPXSKESA-N
XLogP4.83
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.83
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)-3-[(4-fluorophenyl)methyl]-5-methyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[(4-fluorophenyl)methyl]-5-methyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 71710841) is (2Z)-3-[(4-fluorophenyl)methyl]-5-methyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-[(4-fluorophenyl)methyl]-5-methyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[(4-fluorophenyl)methyl]-5-methyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is CC1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of (2Z)-3-[(4-fluorophenyl)methyl]-5-methyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is MUXARSJULIEDTL-ZKHPXSKESA-N. The full InChI is InChI=1S/C22H18FN3OS/c1-15-21(27)26(14-16-9-11-19(23)12-10-16)22(28-15)25-24-13-18-7-4-6-17-5-2-3-8-20(17)18/h2-13,15H,14H2,1H3/b24-13+,25-22-.
What are the key properties of (2Z)-3-[(4-fluorophenyl)methyl]-5-methyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-3-[(4-fluorophenyl)methyl]-5-methyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 391.47 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[(4-fluorophenyl)methyl]-5-methyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 71710841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).