(2Z)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one

C19H18FN3OS — CID 135788955

IUPAC(2Z)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1/NC(=O)C(Cc2ccccc2C)S1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3OS/c1-12-5-3-4-6-15(12)11-17-18(24)21-19(25-17)23-22-13(2)14-7-9-16(20)10-8-14/h3-10,17H,11H2,1-2H3,(H,21,23,24)/b22-13-
InChIKeyONIVPHNPHLIJKT-XKZIYDEJSA-N
MW355.44 g/mol
LogP3.69
Rot. Bonds4

About (2Z)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one

(2Z)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 135788955) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is (2Z)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID135788955
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name(2Z)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESC/C(=N/N=C1/NC(=O)C(Cc2ccccc2C)S1)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3OS/c1-12-5-3-4-6-15(12)11-17-18(24)21-19(25-17)23-22-13(2)14-7-9-16(20)10-8-14/h3-10,17H,11H2,1-2H3,(H,21,23,24)/b22-13-
InChIKeyONIVPHNPHLIJKT-XKZIYDEJSA-N
XLogP3.69
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
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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Related Compounds

(2Z,5R)-5-[(2-methylphenyl)methyl]-2-[(Z)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136678559
(2E,5S)-5-[(4-chlorophenyl)methyl]-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135748348
5-[(3-chlorophenyl)methyl]-2-[1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135480835
2-[(2E,5S)-2-[1-(4-fluorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135845629
(2E,5S)-5-[(4-fluorophenyl)methyl]-2-[(E)-1-(4-methoxyphenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135749691
(2Z,5R)-5-[(4-ethoxyphenyl)methyl]-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136869245
5-benzyl-2-[(Z)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137184948
5-benzyl-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135505620
N-(2,3-dimethylphenyl)-2-[(5R)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 137054739
(2E,5S)-2-[1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[(3-nitrophenyl)methyl]-1,3-thiazolidin-4-one
CID 135593617
5-[(4-bromophenyl)methyl]-2-(1-phenylethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135502494
(2E,5S)-5-[(4-bromophenyl)methyl]-2-[(E)-1-phenylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135749689

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one (CID 135788955) is (2Z)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one is C/C(=N/N=C1/NC(=O)C(Cc2ccccc2C)S1)c1ccc(F)cc1.
What is the InChIKey of (2Z)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is ONIVPHNPHLIJKT-XKZIYDEJSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-12-5-3-4-6-15(12)11-17-18(24)21-19(25-17)23-22-13(2)14-7-9-16(20)10-8-14/h3-10,17H,11H2,1-2H3,(H,21,23,24)/b22-13-.
What are the key properties of (2Z)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
(2Z)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 355.44 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(Z)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135788955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).