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

C24H20FN3OS — CID 5193803

IUPAC5-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)C(Cc2ccc(F)cc2)SC1=NN=Cc1cccc2ccccc12
InChIInChI=1S/C24H20FN3OS/c1-2-14-28-23(29)22(15-17-10-12-20(25)13-11-17)30-24(28)27-26-16-19-8-5-7-18-6-3-4-9-21(18)19/h2-13,16,22H,1,14-15H2
InChIKeyCABYRIWHEOKHAH-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.04
Rot. Bonds6

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

5-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 5193803) has the molecular formula C24H20FN3OS and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID5193803
Molecular FormulaC24H20FN3OS
Molecular Weight417.51 g/mol
Exact Mass417.13
IUPAC Name5-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)C(Cc2ccc(F)cc2)SC1=NN=Cc1cccc2ccccc12
InChIInChI=1S/C24H20FN3OS/c1-2-14-28-23(29)22(15-17-10-12-20(25)13-11-17)30-24(28)27-26-16-19-8-5-7-18-6-3-4-9-21(18)19/h2-13,16,22H,1,14-15H2
InChIKeyCABYRIWHEOKHAH-UHFFFAOYSA-N
XLogP5.04
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2E)-5-benzyl-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 16648309
5-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 3929143
(2Z)-3-[(4-fluorophenyl)methyl]-5-methyl-2-[(E)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 71710841
5-benzyl-2-[1-(4-fluorophenyl)ethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 2856475
(2Z,5R)-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 40512977
(2E,5S)-5-benzyl-2-[(E)-(5-phenylfuran-2-yl)methylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 7331928
2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 2855983
(2Z,5R)-3-benzyl-5-[(4-fluorophenyl)methyl]-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 40972053
N-(4-fluorophenyl)-2-(2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl)acetamide
CID 18824511
(2Z,5R)-5-[(3-chlorophenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 7472482
5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 3692288
(2Z,5R)-2-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methoxyphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 98118994

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one (CID 5193803) is 5-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one is C=CCN1C(=O)C(Cc2ccc(F)cc2)SC1=NN=Cc1cccc2ccccc12.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is CABYRIWHEOKHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3OS/c1-2-14-28-23(29)22(15-17-10-12-20(25)13-11-17)30-24(28)27-26-16-19-8-5-7-18-6-3-4-9-21(18)19/h2-13,16,22H,1,14-15H2.
What are the key properties of 5-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one?
5-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 417.51 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 5193803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).