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

C20H19Cl2N3OS — CID 122194403

IUPAC(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\SC(C(C)C)C(=O)N1c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H19Cl2N3OS/c1-12(2)18-19(26)25(15-7-5-4-6-8-15)20(27-18)24-23-13(3)14-9-10-16(21)17(22)11-14/h4-12,18H,1-3H3/b23-13+,24-20+
InChIKeyFZRXOMIPLLZBCM-WGHMEBRLSA-N
MW420.37 g/mol
LogP5.88
Rot. Bonds4

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

(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 122194403) has the molecular formula C20H19Cl2N3OS and a molecular weight of 420.37 g/mol. Its IUPAC name is (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID122194403
Molecular FormulaC20H19Cl2N3OS
Molecular Weight420.37 g/mol
Exact Mass419.06
IUPAC Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\SC(C(C)C)C(=O)N1c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H19Cl2N3OS/c1-12(2)18-19(26)25(15-7-5-4-6-8-15)20(27-18)24-23-13(3)14-9-10-16(21)17(22)11-14/h4-12,18H,1-3H3/b23-13+,24-20+
InChIKeyFZRXOMIPLLZBCM-WGHMEBRLSA-N
XLogP5.88
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.37
LogP ≤ 55.88
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]-3-phenyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-5-propan-2-yl-1,3-thiazolidin-4-one (CID 122194403) is (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-5-propan-2-yl-1,3-thiazolidin-4-one is C/C(=N\N=C1\SC(C(C)C)C(=O)N1c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is FZRXOMIPLLZBCM-WGHMEBRLSA-N. The full InChI is InChI=1S/C20H19Cl2N3OS/c1-12(2)18-19(26)25(15-7-5-4-6-8-15)20(27-18)24-23-13(3)14-9-10-16(21)17(22)11-14/h4-12,18H,1-3H3/b23-13+,24-20+.
What are the key properties of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-5-propan-2-yl-1,3-thiazolidin-4-one?
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-phenyl-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 420.37 g/mol, XLogP of 5.88, 4 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]-3-phenyl-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 122194403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).