potassium;hydride;[4-oxo-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidin-2-ylidene]cyanamide

C19H14KN3OS — CID 173184377

IUPACpotassium;hydride;[4-oxo-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidin-2-ylidene]cyanamide
SMILESN#C/N=C1\NC(=O)C(=Cc2ccc(/C=C/c3ccccc3)cc2)S1.[H-].[K+]
InChIInChI=1S/C19H13N3OS.K.H/c20-13-21-19-22-18(23)17(24-19)12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14;;/h1-12H,(H,21,22,23);;/q;+1;-1/b7-6+,17-12?;;
InChIKeySANFFCYNCICHDT-KVQKVFRISA-N
MW371.51 g/mol
LogP1.01
Rot. Bonds3

About potassium;hydride;[4-oxo-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidin-2-ylidene]cyanamide

potassium;hydride;[4-oxo-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidin-2-ylidene]cyanamide (PubChem CID 173184377) has the molecular formula C19H14KN3OS and a molecular weight of 371.51 g/mol. Its IUPAC name is potassium;hydride;[4-oxo-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidin-2-ylidene]cyanamide.

Molecular Properties

Compound Namepotassium;hydride;[4-oxo-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidin-2-ylidene]cyanamide
PubChem CID173184377
Molecular FormulaC19H14KN3OS
Molecular Weight371.51 g/mol
Exact Mass371.05
IUPAC Namepotassium;hydride;[4-oxo-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidin-2-ylidene]cyanamide
SMILESN#C/N=C1\NC(=O)C(=Cc2ccc(/C=C/c3ccccc3)cc2)S1.[H-].[K+]
InChIInChI=1S/C19H13N3OS.K.H/c20-13-21-19-22-18(23)17(24-19)12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14;;/h1-12H,(H,21,22,23);;/q;+1;-1/b7-6+,17-12?;;
InChIKeySANFFCYNCICHDT-KVQKVFRISA-N
XLogP1.01
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-1,3-thiazolidin-2-ylidene]cyanamide
CID 136654250
4-[(Z)-(4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzonitrile
CID 135521092
5-benzylidene-2-benzylimino-1,3-thiazolidin-4-one
CID 135538834
(5Z)-5-benzylidene-2-(2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135676533
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
(5E)-5-benzylidene-2-(4-iodophenyl)imino-1,3-thiazolidin-4-one
CID 137063495
(2Z,5E)-5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one
CID 136913826
5-[(4-nitrophenyl)methylidene]-2-(phenylhydrazinylidene)-1,3-thiazolidin-4-one
CID 135416195
(5Z)-2-(4-anilinophenyl)imino-5-benzylidene-1,3-thiazolidin-4-one
CID 137165844
(5Z)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139059666
[5-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]cyanamide
CID 136596877

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;[4-oxo-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidin-2-ylidene]cyanamide?
The IUPAC name of potassium;hydride;[4-oxo-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidin-2-ylidene]cyanamide (CID 173184377) is potassium;hydride;[4-oxo-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidin-2-ylidene]cyanamide.
What is the SMILES notation for potassium;hydride;[4-oxo-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidin-2-ylidene]cyanamide?
The canonical SMILES for potassium;hydride;[4-oxo-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidin-2-ylidene]cyanamide is N#C/N=C1\NC(=O)C(=Cc2ccc(/C=C/c3ccccc3)cc2)S1.[H-].[K+].
What is the InChIKey of potassium;hydride;[4-oxo-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidin-2-ylidene]cyanamide?
The InChIKey is SANFFCYNCICHDT-KVQKVFRISA-N. The full InChI is InChI=1S/C19H13N3OS.K.H/c20-13-21-19-22-18(23)17(24-19)12-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14;;/h1-12H,(H,21,22,23);;/q;+1;-1/b7-6+,17-12?;;.
What are the key properties of potassium;hydride;[4-oxo-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidin-2-ylidene]cyanamide?
potassium;hydride;[4-oxo-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidin-2-ylidene]cyanamide has a molecular weight of 371.51 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;[4-oxo-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-1,3-thiazolidin-2-ylidene]cyanamide is sourced from PubChem (CID 173184377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).