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

C18H15Cl2N3OS — CID 122194399

IUPAC(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-5-phenyl-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\SC(c2ccccc2)C(=O)N1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H15Cl2N3OS/c1-11(13-8-9-14(19)15(20)10-13)21-22-18-23(2)17(24)16(25-18)12-6-4-3-5-7-12/h3-10,16H,1-2H3/b21-11+,22-18+
InChIKeyYDTPSQSJIXBDIL-RHQMAGSPSA-N
MW392.31 g/mol
LogP5.02
Rot. Bonds3

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

(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-5-phenyl-1,3-thiazolidin-4-one (PubChem CID 122194399) 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]-3-methyl-5-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-5-phenyl-1,3-thiazolidin-4-one
PubChem CID122194399
Molecular FormulaC18H15Cl2N3OS
Molecular Weight392.31 g/mol
Exact Mass391.03
IUPAC Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-5-phenyl-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\SC(c2ccccc2)C(=O)N1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H15Cl2N3OS/c1-11(13-8-9-14(19)15(20)10-13)21-22-18-23(2)17(24)16(25-18)12-6-4-3-5-7-12/h3-10,16H,1-2H3/b21-11+,22-18+
InChIKeyYDTPSQSJIXBDIL-RHQMAGSPSA-N
XLogP5.02
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 ≤ 55.02
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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Related Compounds

(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-1,3-thiazolidin-4-one
CID 122194395
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3,5-dimethyl-1,3-thiazolidin-4-one
CID 122194396
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-methyl-1,3-thiazolidin-4-one
CID 122194397
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 122194398
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-1,3-thiazolidin-4-one
CID 137028474
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 137028475
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 137028476
5-(4-Fluorobenzyl)-1,3-thiazolidine-2,4-dione 2-{[1-(4-chlorophenyl)ethylidene]hydrazone}
CID 135473243
5-(4-Chlorobenzyl)-1,3-thiazolidine-2,4-dione 2-{[1-(4-fluorophenyl)ethylidene]hydrazone}
CID 135473260
Benzaldehyde (5-(3,4-dichlorobenzyl)-4-oxo-1,3-thiazolidin-2-ylidene)hydrazone
CID 135645362
(2E)-2-[(E)-1-(2,5-dichlorophenyl)ethylidenehydrazinylidene]-5-phenyl-1,3-thiazolidin-4-one
CID 172452706
(2E)-2-[1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135800686

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-5-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-5-phenyl-1,3-thiazolidin-4-one (CID 122194399) is (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-5-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-5-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-5-phenyl-1,3-thiazolidin-4-one is C/C(=N\N=C1\SC(c2ccccc2)C(=O)N1C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-5-phenyl-1,3-thiazolidin-4-one?
The InChIKey is YDTPSQSJIXBDIL-RHQMAGSPSA-N. The full InChI is InChI=1S/C18H15Cl2N3OS/c1-11(13-8-9-14(19)15(20)10-13)21-22-18-23(2)17(24)16(25-18)12-6-4-3-5-7-12/h3-10,16H,1-2H3/b21-11+,22-18+.
What are the key properties of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-5-phenyl-1,3-thiazolidin-4-one?
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-5-phenyl-1,3-thiazolidin-4-one has a molecular weight of 392.31 g/mol, XLogP of 5.02, 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]-3-methyl-5-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 122194399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).