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

C11H9Cl2N3OS — CID 137028472

IUPAC(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/NC(=O)CS1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3OS/c1-6(7-2-3-8(12)9(13)4-7)15-16-11-14-10(17)5-18-11/h2-4H,5H2,1H3,(H,14,16,17)/b15-6+
InChIKeyYCSGXWPSZHUQSG-GIDUJCDVSA-N
MW302.19 g/mol
LogP2.94
Rot. Bonds2

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

(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 137028472) has the molecular formula C11H9Cl2N3OS and a molecular weight of 302.19 g/mol. Its IUPAC name is (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID137028472
Molecular FormulaC11H9Cl2N3OS
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/NC(=O)CS1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl2N3OS/c1-6(7-2-3-8(12)9(13)4-7)15-16-11-14-10(17)5-18-11/h2-4H,5H2,1H3,(H,14,16,17)/b15-6+
InChIKeyYCSGXWPSZHUQSG-GIDUJCDVSA-N
XLogP2.94
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.94
H-Bond Donors ≤ 51
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)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135461369
(2E)-2-[(E)-(3-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136066073
(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-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
2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172929834

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 137028472) is (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N\N=C1/NC(=O)CS1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is YCSGXWPSZHUQSG-GIDUJCDVSA-N. The full InChI is InChI=1S/C11H9Cl2N3OS/c1-6(7-2-3-8(12)9(13)4-7)15-16-11-14-10(17)5-18-11/h2-4H,5H2,1H3,(H,14,16,17)/b15-6+.
What are the key properties of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 302.19 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 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]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137028472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).