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

C12H11Cl2N3OS — CID 122194395

IUPAC(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\SCC(=O)N1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N3OS/c1-7(8-3-4-9(13)10(14)5-8)15-16-12-17(2)11(18)6-19-12/h3-5H,6H2,1-2H3/b15-7+,16-12+
InChIKeyCBAFPKHJTPHOOF-QGHKEMITSA-N
MW316.21 g/mol
LogP3.28
Rot. Bonds2

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

(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-1,3-thiazolidin-4-one (PubChem CID 122194395) has the molecular formula C12H11Cl2N3OS and a molecular weight of 316.21 g/mol. Its IUPAC name is (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-1,3-thiazolidin-4-one
PubChem CID122194395
Molecular FormulaC12H11Cl2N3OS
Molecular Weight316.21 g/mol
Exact Mass315.00
IUPAC Name(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1\SCC(=O)N1C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N3OS/c1-7(8-3-4-9(13)10(14)5-8)15-16-12-17(2)11(18)6-19-12/h3-5H,6H2,1-2H3/b15-7+,16-12+
InChIKeyCBAFPKHJTPHOOF-QGHKEMITSA-N
XLogP3.28
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.28
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]-3,5-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]-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
(2Z)-2-[(E)-(3,4-dichlorophenyl)methylidenehydrazinylidene]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 9566084
5-Methyl-1,3-thiazolidine-2,4-dione 2-{[1-(4-chlorophenyl)ethylidene]hydrazone}
CID 135438851
(2Z)-2-[(E)-1-(4-chlorophenyl)ethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136250891
2-[(3,4-Dichlorophenyl)methylidenehydrazinylidene]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 2725171

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-1,3-thiazolidin-4-one (CID 122194395) is (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-1,3-thiazolidin-4-one is C/C(=N\N=C1\SCC(=O)N1C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is CBAFPKHJTPHOOF-QGHKEMITSA-N. The full InChI is InChI=1S/C12H11Cl2N3OS/c1-7(8-3-4-9(13)10(14)5-8)15-16-12-17(2)11(18)6-19-12/h3-5H,6H2,1-2H3/b15-7+,16-12+.
What are the key properties of (2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-1,3-thiazolidin-4-one?
(2E)-2-[(E)-1-(3,4-dichlorophenyl)ethylidenehydrazinylidene]-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 316.21 g/mol, XLogP of 3.28, 2 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-1,3-thiazolidin-4-one is sourced from PubChem (CID 122194395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).