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

C20H21N3O2S — CID 5165972

IUPAC2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C=NN=C2SC(C)C(=O)N2Cc2ccccc2C)cc1
InChIInChI=1S/C20H21N3O2S/c1-14-6-4-5-7-17(14)13-23-19(24)15(2)26-20(23)22-21-12-16-8-10-18(25-3)11-9-16/h4-12,15H,13H2,1-3H3
InChIKeyLNPXOWKEEQTJHE-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.86
Rot. Bonds5

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

2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one (PubChem CID 5165972) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
PubChem CID5165972
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C=NN=C2SC(C)C(=O)N2Cc2ccccc2C)cc1
InChIInChI=1S/C20H21N3O2S/c1-14-6-4-5-7-17(14)13-23-19(24)15(2)26-20(23)22-21-12-16-8-10-18(25-3)11-9-16/h4-12,15H,13H2,1-3H3
InChIKeyLNPXOWKEEQTJHE-UHFFFAOYSA-N
XLogP3.86
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.86
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,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7403971
(2Z,5R)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 7404039
(2Z)-3-[(4-fluorophenyl)methyl]-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 46861400
(2Z,5S)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-naphthalen-1-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7413332
2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-thiazolidin-4-one
CID 3608730
(2Z,5R)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 7431599
(2Z,5R)-5-methyl-3-[(2-methylphenyl)methyl]-2-[(Z)-(3-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 7412190
2-[(4-bromophenyl)methylidenehydrazinylidene]-5-ethyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 3783813
2-[(4-chlorophenyl)methylidenehydrazinylidene]-5-ethyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 3330578
(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-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 3319992
(2E,5R)-3-benzyl-2-[(Z)-(4-bromophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 51711026

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one (CID 5165972) is 2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one is COc1ccc(C=NN=C2SC(C)C(=O)N2Cc2ccccc2C)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
The InChIKey is LNPXOWKEEQTJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-6-4-5-7-17(14)13-23-19(24)15(2)26-20(23)22-21-12-16-8-10-18(25-3)11-9-16/h4-12,15H,13H2,1-3H3.
What are the key properties of 2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one?
2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one has a molecular weight of 367.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 5165972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).