(2E,5S)-2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one

C13H12ClN3OS — CID 135856667

IUPAC(2E,5S)-2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CC[C@@H]1S/C(=N/N=Cc2ccccc2Cl)NC1=O
InChIInChI=1S/C13H12ClN3OS/c1-2-5-11-12(18)16-13(19-11)17-15-8-9-6-3-4-7-10(9)14/h2-4,6-8,11H,1,5H2,(H,16,17,18)/t11-/m0/s1
InChIKeyHKNRHFLCEZOVKL-NSHDSACASA-N
MW293.78 g/mol
LogP2.84
Rot. Bonds4

About (2E,5S)-2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one

(2E,5S)-2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one (PubChem CID 135856667) has the molecular formula C13H12ClN3OS and a molecular weight of 293.78 g/mol. Its IUPAC name is (2E,5S)-2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5S)-2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
PubChem CID135856667
Molecular FormulaC13H12ClN3OS
Molecular Weight293.78 g/mol
Exact Mass293.04
IUPAC Name(2E,5S)-2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
SMILESC=CC[C@@H]1S/C(=N/N=Cc2ccccc2Cl)NC1=O
InChIInChI=1S/C13H12ClN3OS/c1-2-5-11-12(18)16-13(19-11)17-15-8-9-6-3-4-7-10(9)14/h2-4,6-8,11H,1,5H2,(H,16,17,18)/t11-/m0/s1
InChIKeyHKNRHFLCEZOVKL-NSHDSACASA-N
XLogP2.84
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 135548148
(2E,5S)-5-benzyl-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135780056
5-benzyl-2-[(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135510882
(2Z,5S)-2-[(Z)-benzylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 136843635
(2Z)-5-[(4-chlorophenyl)methyl]-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135473256
(2E,5S)-2-[(Z)-(4-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one
CID 135779975
2-[(2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135851847
2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,3-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135475002
(2E)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(4-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135599453
(2E,5S)-2-[(Z)-(2-chlorophenyl)methylidenehydrazinylidene]-5-[(2,5-dichlorophenyl)methyl]-1,3-thiazolidin-4-one
CID 135851513
(2Z,5S)-2-[(E)-(2-chlorophenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 136822476
2-[2-[(2-chlorophenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135525821

Frequently Asked Questions

What is the IUPAC name of (2E,5S)-2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5S)-2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one (CID 135856667) is (2E,5S)-2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5S)-2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5S)-2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one is C=CC[C@@H]1S/C(=N/N=Cc2ccccc2Cl)NC1=O.
What is the InChIKey of (2E,5S)-2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one?
The InChIKey is HKNRHFLCEZOVKL-NSHDSACASA-N. The full InChI is InChI=1S/C13H12ClN3OS/c1-2-5-11-12(18)16-13(19-11)17-15-8-9-6-3-4-7-10(9)14/h2-4,6-8,11H,1,5H2,(H,16,17,18)/t11-/m0/s1.
What are the key properties of (2E,5S)-2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one?
(2E,5S)-2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one has a molecular weight of 293.78 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5S)-2-[(2-chlorophenyl)methylidenehydrazinylidene]-5-prop-2-enyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135856667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).