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

C20H21N3OS — CID 71710836

IUPAC(2Z)-3-benzyl-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=N/N=C2\SC(C)C(=O)N2Cc2ccccc2)c(C)c1
InChIInChI=1S/C20H21N3OS/c1-14-9-10-18(15(2)11-14)12-21-22-20-23(19(24)16(3)25-20)13-17-7-5-4-6-8-17/h4-12,16H,13H2,1-3H3/b21-12+,22-20-
InChIKeyVLONDOVIFPMYKE-KJPDKSBHSA-N
MW351.48 g/mol
LogP4.16
Rot. Bonds4

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

(2Z)-3-benzyl-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (PubChem CID 71710836) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is (2Z)-3-benzyl-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-benzyl-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
PubChem CID71710836
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name(2Z)-3-benzyl-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
SMILESCc1ccc(/C=N/N=C2\SC(C)C(=O)N2Cc2ccccc2)c(C)c1
InChIInChI=1S/C20H21N3OS/c1-14-9-10-18(15(2)11-14)12-21-22-20-23(19(24)16(3)25-20)13-17-7-5-4-6-8-17/h4-12,16H,13H2,1-3H3/b21-12+,22-20-
InChIKeyVLONDOVIFPMYKE-KJPDKSBHSA-N
XLogP4.16
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-benzyl-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-benzyl-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one (CID 71710836) is (2Z)-3-benzyl-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-benzyl-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-benzyl-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is Cc1ccc(/C=N/N=C2\SC(C)C(=O)N2Cc2ccccc2)c(C)c1.
What is the InChIKey of (2Z)-3-benzyl-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is VLONDOVIFPMYKE-KJPDKSBHSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-14-9-10-18(15(2)11-14)12-21-22-20-23(19(24)16(3)25-20)13-17-7-5-4-6-8-17/h4-12,16H,13H2,1-3H3/b21-12+,22-20-.
What are the key properties of (2Z)-3-benzyl-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one?
(2Z)-3-benzyl-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 351.48 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-benzyl-2-[(E)-(2,4-dimethylphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 71710836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).