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

C26H27N3O3S — CID 3699869

IUPAC2-[(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-5-propyl-1,3-thiazolidin-4-one
SMILESCCCC1SC(=NN=Cc2ccc(OC)cc2OC)N(Cc2cccc3ccccc23)C1=O
InChIInChI=1S/C26H27N3O3S/c1-4-8-24-25(30)29(17-20-11-7-10-18-9-5-6-12-22(18)20)26(33-24)28-27-16-19-13-14-21(31-2)15-23(19)32-3/h5-7,9-16,24H,4,8,17H2,1-3H3
InChIKeyXBHHYMRFRYYHFR-UHFFFAOYSA-N
MW461.59 g/mol
LogP5.49
Rot. Bonds8

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

2-[(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-5-propyl-1,3-thiazolidin-4-one (PubChem CID 3699869) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-5-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-5-propyl-1,3-thiazolidin-4-one
PubChem CID3699869
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC Name2-[(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-5-propyl-1,3-thiazolidin-4-one
SMILESCCCC1SC(=NN=Cc2ccc(OC)cc2OC)N(Cc2cccc3ccccc23)C1=O
InChIInChI=1S/C26H27N3O3S/c1-4-8-24-25(30)29(17-20-11-7-10-18-9-5-6-12-22(18)20)26(33-24)28-27-16-19-13-14-21(31-2)15-23(19)32-3/h5-7,9-16,24H,4,8,17H2,1-3H3
InChIKeyXBHHYMRFRYYHFR-UHFFFAOYSA-N
XLogP5.49
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.59
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(2E,5S)-5-butyl-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 41020629
(2Z,5S)-2-[(Z)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 7403905
5-butyl-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 3337148
(2Z,5S)-5-ethyl-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidin-4-one
CID 7411954
2-[(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-5-ethyl-3-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 5106612
(2Z,5R)-3-(naphthalen-1-ylmethyl)-5-propyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7403919
(2Z,5S)-5-butyl-3-[(4-methoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7461310
(2Z,5R)-5-butyl-3-[(4-methoxyphenyl)methyl]-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7461309
(2Z,5R)-2-[(Z)-(5-bromo-2-methoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 39103625
(2Z,5S)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-propyl-1,3-thiazolidin-4-one
CID 6885265
(2E,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 6580519
5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 3692288

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-5-propyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-5-propyl-1,3-thiazolidin-4-one (CID 3699869) is 2-[(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-5-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-5-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-5-propyl-1,3-thiazolidin-4-one is CCCC1SC(=NN=Cc2ccc(OC)cc2OC)N(Cc2cccc3ccccc23)C1=O.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-5-propyl-1,3-thiazolidin-4-one?
The InChIKey is XBHHYMRFRYYHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c1-4-8-24-25(30)29(17-20-11-7-10-18-9-5-6-12-22(18)20)26(33-24)28-27-16-19-13-14-21(31-2)15-23(19)32-3/h5-7,9-16,24H,4,8,17H2,1-3H3.
What are the key properties of 2-[(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-5-propyl-1,3-thiazolidin-4-one?
2-[(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-5-propyl-1,3-thiazolidin-4-one has a molecular weight of 461.59 g/mol, XLogP of 5.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-(naphthalen-1-ylmethyl)-5-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3699869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).