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

C12H13N3OS — CID 135800090

IUPAC(2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCc1ccc(/C=N/N=C2/NC(=O)CS2)cc1
InChIInChI=1S/C12H13N3OS/c1-2-9-3-5-10(6-4-9)7-13-15-12-14-11(16)8-17-12/h3-7H,2,8H2,1H3,(H,14,15,16)/b13-7+
InChIKeySUUZGSBYUVLFJV-NTUHNPAUSA-N
MW247.32 g/mol
LogP1.80
Rot. Bonds3

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

(2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135800090) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is (2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135800090
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name(2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCc1ccc(/C=N/N=C2/NC(=O)CS2)cc1
InChIInChI=1S/C12H13N3OS/c1-2-9-3-5-10(6-4-9)7-13-15-12-14-11(16)8-17-12/h3-7H,2,8H2,1H3,(H,14,15,16)/b13-7+
InChIKeySUUZGSBYUVLFJV-NTUHNPAUSA-N
XLogP1.80
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.80
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

2-[[3-(4-ethylphenyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574049
2-[[4-(methylsulfonylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575362
(2Z)-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734362
2-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137319883
2-[(4-ethyl-2-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574383
(2E)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135444060
(2Z)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135823200
2-[[4-(thiomorpholin-4-ylmethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574296
2-[(4-nonoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574506
2-[(4-dodecoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576004
4-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzonitrile
CID 135659492
2-[[4-(4-methylphenoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575298

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 135800090) is (2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCc1ccc(/C=N/N=C2/NC(=O)CS2)cc1.
What is the InChIKey of (2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is SUUZGSBYUVLFJV-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-2-9-3-5-10(6-4-9)7-13-15-12-14-11(16)8-17-12/h3-7H,2,8H2,1H3,(H,14,15,16)/b13-7+.
What are the key properties of (2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 247.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135800090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).