5-butyl-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one

C26H27N3O2S — CID 3337148

IUPAC5-butyl-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
SMILESCCCCC1SC(=NN=Cc2ccccc2OC)N(Cc2cccc3ccccc23)C1=O
InChIInChI=1S/C26H27N3O2S/c1-3-4-16-24-25(30)29(18-21-13-9-12-19-10-5-7-14-22(19)21)26(32-24)28-27-17-20-11-6-8-15-23(20)31-2/h5-15,17,24H,3-4,16,18H2,1-2H3
InChIKeyNMMJOEFPUHGEBF-UHFFFAOYSA-N
MW445.59 g/mol
LogP5.87
Rot. Bonds8

About 5-butyl-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one

5-butyl-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 3337148) has the molecular formula C26H27N3O2S and a molecular weight of 445.59 g/mol. Its IUPAC name is 5-butyl-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
PubChem CID3337148
Molecular FormulaC26H27N3O2S
Molecular Weight445.59 g/mol
Exact Mass445.18
IUPAC Name5-butyl-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
SMILESCCCCC1SC(=NN=Cc2ccccc2OC)N(Cc2cccc3ccccc23)C1=O
InChIInChI=1S/C26H27N3O2S/c1-3-4-16-24-25(30)29(18-21-13-9-12-19-10-5-7-14-22(19)21)26(32-24)28-27-17-20-11-6-8-15-23(20)31-2/h5-15,17,24H,3-4,16,18H2,1-2H3
InChIKeyNMMJOEFPUHGEBF-UHFFFAOYSA-N
XLogP5.87
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 55.87
H-Bond Donors ≤ 50
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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Related Compounds

(2Z,5S)-5-ethyl-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 7411954
(2E,5S)-5-butyl-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 41020629
(2Z,5R)-5-butyl-3-[(4-methoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7461309
(2Z,5S)-5-butyl-3-[(4-methoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7461310
2-[(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-5-propyl-1,3-thiazolidin-4-one
CID 3699869
5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 3692288
(2Z)-2-[(E)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-butyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 46861478
(2Z,5R)-3-(naphthalen-1-ylmethyl)-5-propyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7403919
(2E,5S)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 6581784
(2Z,5S)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 7403905
(2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 39103625
2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 3724860

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 5-butyl-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one (CID 3337148) is 5-butyl-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-butyl-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-butyl-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is CCCCC1SC(=NN=Cc2ccccc2OC)N(Cc2cccc3ccccc23)C1=O.
What is the InChIKey of 5-butyl-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
The InChIKey is NMMJOEFPUHGEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2S/c1-3-4-16-24-25(30)29(18-21-13-9-12-19-10-5-7-14-22(19)21)26(32-24)28-27-17-20-11-6-8-15-23(20)31-2/h5-15,17,24H,3-4,16,18H2,1-2H3.
What are the key properties of 5-butyl-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one?
5-butyl-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 445.59 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3337148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).