(2Z)-5-ethyl-3-[(2-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C18H19N3OS2 — CID 46861416

IUPAC(2Z)-5-ethyl-3-[(2-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C18H19N3OS2/c1-3-16-17(22)21(12-14-8-5-4-7-13(14)2)18(24-16)20-19-11-15-9-6-10-23-15/h4-11,16H,3,12H2,1-2H3/b19-11+,20-18-
InChIKeyLUNBIPKQPZWQIZ-IVUIJMHVSA-N
MW357.50 g/mol
LogP4.30
Rot. Bonds5

About (2Z)-5-ethyl-3-[(2-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-5-ethyl-3-[(2-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 46861416) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (2Z)-5-ethyl-3-[(2-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-5-ethyl-3-[(2-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID46861416
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC Name(2Z)-5-ethyl-3-[(2-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C18H19N3OS2/c1-3-16-17(22)21(12-14-8-5-4-7-13(14)2)18(24-16)20-19-11-15-9-6-10-23-15/h4-11,16H,3,12H2,1-2H3/b19-11+,20-18-
InChIKeyLUNBIPKQPZWQIZ-IVUIJMHVSA-N
XLogP4.30
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.30
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)-3-[(2-methylphenyl)methyl]-5-propyl-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 46861454
5-butyl-3-[(2-methylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 3412030
2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-ethyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 3330578
2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 3783813
(2Z,5R)-3-(naphthalen-1-ylmethyl)-5-propyl-2-[(Z)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7403919
5-butyl-3-[(2-methylphenyl)methyl]-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 3319992
2-(furan-2-ylmethylidenehydrazinylidene)-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 3773115
2-[(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 3794677
(2E,5S)-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 6580595
5-butyl-3-[(2-methylphenyl)methyl]-2-(naphthalen-1-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 3692288
(2E,5S)-2-[(Z)-(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
CID 6580519
(2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7403971

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-ethyl-3-[(2-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-5-ethyl-3-[(2-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 46861416) is (2Z)-5-ethyl-3-[(2-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-5-ethyl-3-[(2-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-5-ethyl-3-[(2-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCC1S/C(=N\N=C\c2cccs2)N(Cc2ccccc2C)C1=O.
What is the InChIKey of (2Z)-5-ethyl-3-[(2-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is LUNBIPKQPZWQIZ-IVUIJMHVSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-3-16-17(22)21(12-14-8-5-4-7-13(14)2)18(24-16)20-19-11-15-9-6-10-23-15/h4-11,16H,3,12H2,1-2H3/b19-11+,20-18-.
What are the key properties of (2Z)-5-ethyl-3-[(2-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-5-ethyl-3-[(2-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 357.50 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-ethyl-3-[(2-methylphenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 46861416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).