4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile

C17H11N3OS — CID 135521092

IUPAC4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
SMILESN#Cc1ccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc1
InChIInChI=1S/C17H11N3OS/c18-11-13-8-6-12(7-9-13)10-15-16(21)20-17(22-15)19-14-4-2-1-3-5-14/h1-10H,(H,19,20,21)/b15-10-
InChIKeyWZZBTNBJZWVOCQ-GDNBJRDFSA-N
MW305.36 g/mol
LogP3.45
Rot. Bonds2

About 4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile

4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile (PubChem CID 135521092) has the molecular formula C17H11N3OS and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
PubChem CID135521092
Molecular FormulaC17H11N3OS
Molecular Weight305.36 g/mol
Exact Mass305.06
IUPAC Name4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
SMILESN#Cc1ccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc1
InChIInChI=1S/C17H11N3OS/c18-11-13-8-6-12(7-9-13)10-15-16(21)20-17(22-15)19-14-4-2-1-3-5-14/h1-10H,(H,19,20,21)/b15-10-
InChIKeyWZZBTNBJZWVOCQ-GDNBJRDFSA-N
XLogP3.45
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzonitrile
CID 135868136
4-[(Z)-[2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzonitrile
CID 137166152
5-[(4-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135452040
(5Z)-5-[(4-bromophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135527492
5-[(4-ethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135420449
4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 135827851
(5Z)-2-phenylimino-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135921879
(5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one
CID 137063495
2-[4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
CID 135841235
[4-[(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenyl] acetate
CID 135492730
(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135841214
(5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one
CID 137165844

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile?
The IUPAC name of 4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile (CID 135521092) is 4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile?
The canonical SMILES for 4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile is N#Cc1ccc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc1.
What is the InChIKey of 4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile?
The InChIKey is WZZBTNBJZWVOCQ-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H11N3OS/c18-11-13-8-6-12(7-9-13)10-15-16(21)20-17(22-15)19-14-4-2-1-3-5-14/h1-10H,(H,19,20,21)/b15-10-.
What are the key properties of 4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile?
4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile has a molecular weight of 305.36 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile is sourced from PubChem (CID 135521092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).