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

C14H15Cl2N3OS — CID 122194397

IUPAC(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-methyl-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N/N=C(\C)c2ccc(Cl)c(Cl)c2)N(C)C1=O
InChIInChI=1S/C14H15Cl2N3OS/c1-4-12-13(20)19(3)14(21-12)18-17-8(2)9-5-6-10(15)11(16)7-9/h5-7,12H,4H2,1-3H3/b17-8+,18-14+
InChIKeyJXGZBTHOTSHSMA-BYKJUDHZSA-N
MW344.27 g/mol
LogP4.06
Rot. Bonds3

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

(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-methyl-1,3-thiazolidin-4-one (PubChem CID 122194397) has the molecular formula C14H15Cl2N3OS and a molecular weight of 344.27 g/mol. Its IUPAC name is (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-methyl-1,3-thiazolidin-4-one
PubChem CID122194397
Molecular FormulaC14H15Cl2N3OS
Molecular Weight344.27 g/mol
Exact Mass343.03
IUPAC Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-methyl-1,3-thiazolidin-4-one
SMILESCCC1S/C(=N/N=C(\C)c2ccc(Cl)c(Cl)c2)N(C)C1=O
InChIInChI=1S/C14H15Cl2N3OS/c1-4-12-13(20)19(3)14(21-12)18-17-8(2)9-5-6-10(15)11(16)7-9/h5-7,12H,4H2,1-3H3/b17-8+,18-14+
InChIKeyJXGZBTHOTSHSMA-BYKJUDHZSA-N
XLogP4.06
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.06
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]-3-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 122194398
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-5-phenyl-1,3-thiazolidin-4-one
CID 122194399
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137028472
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 137028473
(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
1,2,4-Triazin-5(4H)-one, 3-[[(3,4-dichlorophenyl)methyl]thio]-6-methyl-
CID 135429739
(2Z)-2-[(E)-(3,4-dichlorophenyl)methylidenehydrazinylidene]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 9566084
1-Methyl-2,5-dioxo-3-pyrrolidinyl 2-[1-(4-chlorophenyl)ethylidene]hydrazinecarbimidothioate
CID 9566944

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-methyl-1,3-thiazolidin-4-one (CID 122194397) is (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-methyl-1,3-thiazolidin-4-one is CCC1S/C(=N/N=C(\C)c2ccc(Cl)c(Cl)c2)N(C)C1=O.
What is the InChIKey of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is JXGZBTHOTSHSMA-BYKJUDHZSA-N. The full InChI is InChI=1S/C14H15Cl2N3OS/c1-4-12-13(20)19(3)14(21-12)18-17-8(2)9-5-6-10(15)11(16)7-9/h5-7,12H,4H2,1-3H3/b17-8+,18-14+.
What are the key properties of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-methyl-1,3-thiazolidin-4-one?
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-5-ethyl-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 344.27 g/mol, XLogP of 4.06, 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-ethyl-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 122194397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).