4-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzonitrile

C11H8N4OS — CID 135659492

IUPAC4-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzonitrile
SMILESN#Cc1ccc(/C=N\N=C2\NC(=O)CS2)cc1
InChIInChI=1S/C11H8N4OS/c12-5-8-1-3-9(4-2-8)6-13-15-11-14-10(16)7-17-11/h1-4,6H,7H2,(H,14,15,16)/b13-6-
InChIKeyCKLMCYOVOPMMST-MLPAPPSSSA-N
MW244.28 g/mol
LogP1.11
Rot. Bonds2

About 4-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzonitrile

4-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzonitrile (PubChem CID 135659492) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 4-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzonitrile
PubChem CID135659492
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC Name4-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzonitrile
SMILESN#Cc1ccc(/C=N\N=C2\NC(=O)CS2)cc1
InChIInChI=1S/C11H8N4OS/c12-5-8-1-3-9(4-2-8)6-13-15-11-14-10(16)7-17-11/h1-4,6H,7H2,(H,14,15,16)/b13-6-
InChIKeyCKLMCYOVOPMMST-MLPAPPSSSA-N
XLogP1.11
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(Z)-(4-fluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137319883
(2Z)-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734362
(2E)-2-[(E)-(4-bromophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135444060
2-[(E)-(4-nitrophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 137184938
4-[[3-[[(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 168574061
(2Z)-2-[(4-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135823200
(2Z)-2-[(E)-(4-ethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135800090
2-[(3-bromo-4-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574665
2-[(4-propan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573861
2-[[4-(4-methylphenoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575298
2-[(E)-[4-(N-methylanilino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172920535
2-[(Z)-[4-(N-methylanilino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136831641

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzonitrile?
The IUPAC name of 4-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzonitrile (CID 135659492) is 4-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzonitrile?
The canonical SMILES for 4-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzonitrile is N#Cc1ccc(/C=N\N=C2\NC(=O)CS2)cc1.
What is the InChIKey of 4-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzonitrile?
The InChIKey is CKLMCYOVOPMMST-MLPAPPSSSA-N. The full InChI is InChI=1S/C11H8N4OS/c12-5-8-1-3-9(4-2-8)6-13-15-11-14-10(16)7-17-11/h1-4,6H,7H2,(H,14,15,16)/b13-6-.
What are the key properties of 4-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzonitrile?
4-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzonitrile has a molecular weight of 244.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl]benzonitrile is sourced from PubChem (CID 135659492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).