(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C10H8ClN3OS — CID 135403956

IUPAC(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C\c2ccc(Cl)cc2)N1
InChIInChI=1S/C10H8ClN3OS/c11-8-3-1-7(2-4-8)5-12-14-10-13-9(15)6-16-10/h1-5H,6H2,(H,13,14,15)/b12-5+
InChIKeyKHBZUTKCIKDFSN-LFYBBSHMSA-N
MW253.71 g/mol
LogP1.89
Rot. Bonds2

About (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135403956) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135403956
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC Name(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\N=C\c2ccc(Cl)cc2)N1
InChIInChI=1S/C10H8ClN3OS/c11-8-3-1-7(2-4-8)5-12-14-10-13-9(15)6-16-10/h1-5H,6H2,(H,13,14,15)/b12-5+
InChIKeyKHBZUTKCIKDFSN-LFYBBSHMSA-N
XLogP1.89
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 51.89
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

Benzaldehyde, (4,5-dihydro-5-methyl-4-oxo-2-thiazolyl)hydrazone
CID 135438845
(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135461369
4-Fluorobenzaldehyde (4-oxo-4,5-dihydro-1,3-thiazol-2-YL)hydrazone
CID 135631924
(E)-3-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)prop-2-enamide
CID 960165
(2E)-2-[(E)-(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135536623
3-Methylbenzaldehyde (4-oxo-1,3-thiazolidin-2-ylidene)hydrazone
CID 135547320
(2E)-2-{(2E)-[(2E)-3-phenylprop-2-en-1-ylidene]hydrazinylidene}-1,3-thiazolidin-4-one
CID 135628899
(2E)-2-[(E)-(3-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136066072
(2E)-2-[(E)-(3-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136066073
2-[2-(2,4-Dichlorobenzylidene)hydrazono]-1,3-thiazinan-4-one
CID 135544962
3-((3,4-dichlorobenzyl)thio)-1,2,4-triazin-5(4H)-one
CID 135764101
(2Z)-2,20(Z)-(1,4-Phenylenebis(methane-1-yl-ylidene))bis(hydrazine-2,1-diylidene))dithiazolidin-4-one (14)
CID 136064560

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135403956) is (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N\N=C\c2ccc(Cl)cc2)N1.
What is the InChIKey of (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is KHBZUTKCIKDFSN-LFYBBSHMSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c11-8-3-1-7(2-4-8)5-12-14-10-13-9(15)6-16-10/h1-5H,6H2,(H,13,14,15)/b12-5+.
What are the key properties of (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 253.71 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135403956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).