(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-methyl-3-phenyl-1,3-thiazolidin-4-one

C18H15Cl2N3OS — CID 122194401

IUPAC(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-methyl-3-phenyl-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\SC(C)C(=O)N1c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H15Cl2N3OS/c1-11(13-8-9-15(19)16(20)10-13)21-22-18-23(17(24)12(2)25-18)14-6-4-3-5-7-14/h3-10,12H,1-2H3/b21-11+,22-18+
InChIKeyXPNRXUGPRGADDX-RHQMAGSPSA-N
MW392.31 g/mol
LogP5.24
Rot. Bonds3

About (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-methyl-3-phenyl-1,3-thiazolidin-4-one

(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-methyl-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 122194401) has the molecular formula C18H15Cl2N3OS and a molecular weight of 392.31 g/mol. Its IUPAC name is (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-methyl-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-methyl-3-phenyl-1,3-thiazolidin-4-one
PubChem CID122194401
Molecular FormulaC18H15Cl2N3OS
Molecular Weight392.31 g/mol
Exact Mass391.03
IUPAC Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-methyl-3-phenyl-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\SC(C)C(=O)N1c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H15Cl2N3OS/c1-11(13-8-9-15(19)16(20)10-13)21-22-18-23(17(24)12(2)25-18)14-6-4-3-5-7-14/h3-10,12H,1-2H3/b21-11+,22-18+
InChIKeyXPNRXUGPRGADDX-RHQMAGSPSA-N
XLogP5.24
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.31
LogP ≤ 55.24
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 (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-methyl-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-methyl-3-phenyl-1,3-thiazolidin-4-one (CID 122194401) is (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-methyl-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-methyl-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-methyl-3-phenyl-1,3-thiazolidin-4-one is C/C(=N\N=C1\SC(C)C(=O)N1c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-methyl-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is XPNRXUGPRGADDX-RHQMAGSPSA-N. The full InChI is InChI=1S/C18H15Cl2N3OS/c1-11(13-8-9-15(19)16(20)10-13)21-22-18-23(17(24)12(2)25-18)14-6-4-3-5-7-14/h3-10,12H,1-2H3/b21-11+,22-18+.
What are the key properties of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-methyl-3-phenyl-1,3-thiazolidin-4-one?
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-methyl-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 392.31 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-methyl-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 122194401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).