5-[(3,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C20H21N3O2S — CID 135469001

IUPAC5-[(3,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C=NN=C2NC(=O)C(Cc3ccc(C)c(C)c3)S2)cc1
InChIInChI=1S/C20H21N3O2S/c1-13-4-5-16(10-14(13)2)11-18-19(24)22-20(26-18)23-21-12-15-6-8-17(25-3)9-7-15/h4-10,12,18H,11H2,1-3H3,(H,22,23,24)
InChIKeyBUSJUZBVSLSJEA-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.48
Rot. Bonds5

About 5-[(3,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

5-[(3,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135469001) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(3,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135469001
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name5-[(3,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C=NN=C2NC(=O)C(Cc3ccc(C)c(C)c3)S2)cc1
InChIInChI=1S/C20H21N3O2S/c1-13-4-5-16(10-14(13)2)11-18-19(24)22-20(26-18)23-21-12-15-6-8-17(25-3)9-7-15/h4-10,12,18H,11H2,1-3H3,(H,22,23,24)
InChIKeyBUSJUZBVSLSJEA-UHFFFAOYSA-N
XLogP3.48
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
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

(2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135856692
5-[(4-methoxyphenyl)methyl]-2-[(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135486250
(2Z,5R)-5-[(4-methoxyphenyl)methyl]-2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135949645
(2Z)-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135529616
(2Z)-5-[(4-methylphenyl)methyl]-2-[(3,4,5-trimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135932220
(2E,5S)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 135856668
(5R)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 137195541
(2E)-5-[(3,4-dimethylphenyl)methyl]-2-(thiophen-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135711087
2-[(2E)-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135472379
(2E)-5-[(4-chlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135747355
(2E)-5-[(3,4-dichlorophenyl)methyl]-2-[(3,4-dimethoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135845562
2-[(2-butoxyphenyl)methylidenehydrazinylidene]-5-[(3,4-dimethylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135453626

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(3,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135469001) is 5-[(3,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(3,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(3,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is COc1ccc(C=NN=C2NC(=O)C(Cc3ccc(C)c(C)c3)S2)cc1.
What is the InChIKey of 5-[(3,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is BUSJUZBVSLSJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-13-4-5-16(10-14(13)2)11-18-19(24)22-20(26-18)23-21-12-15-6-8-17(25-3)9-7-15/h4-10,12,18H,11H2,1-3H3,(H,22,23,24).
What are the key properties of 5-[(3,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
5-[(3,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 367.47 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135469001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).