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

C23H27N3OS — CID 3794677

IUPAC2-[(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
SMILESCCCC1SC(=NN=Cc2ccc(C)cc2C)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C23H27N3OS/c1-5-8-21-22(27)26(15-20-10-7-6-9-17(20)3)23(28-21)25-24-14-19-12-11-16(2)13-18(19)4/h6-7,9-14,21H,5,8,15H2,1-4H3
InChIKeyVDTVXPWZRHCESD-UHFFFAOYSA-N
MW393.56 g/mol
LogP5.25
Rot. Bonds6

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

2-[(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one (PubChem CID 3794677) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
PubChem CID3794677
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC Name2-[(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one
SMILESCCCC1SC(=NN=Cc2ccc(C)cc2C)N(Cc2ccccc2C)C1=O
InChIInChI=1S/C23H27N3OS/c1-5-8-21-22(27)26(15-20-10-7-6-9-17(20)3)23(28-21)25-24-14-19-12-11-16(2)13-18(19)4/h6-7,9-14,21H,5,8,15H2,1-4H3
InChIKeyVDTVXPWZRHCESD-UHFFFAOYSA-N
XLogP5.25
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.56
LogP ≤ 55.25
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 2-[(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one (CID 3794677) is 2-[(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one is CCCC1SC(=NN=Cc2ccc(C)cc2C)N(Cc2ccccc2C)C1=O.
What is the InChIKey of 2-[(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?
The InChIKey is VDTVXPWZRHCESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-5-8-21-22(27)26(15-20-10-7-6-9-17(20)3)23(28-21)25-24-14-19-12-11-16(2)13-18(19)4/h6-7,9-14,21H,5,8,15H2,1-4H3.
What are the key properties of 2-[(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one?
2-[(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one has a molecular weight of 393.56 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)methylidenehydrazinylidene]-3-[(2-methylphenyl)methyl]-5-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3794677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).