ethyl (2Z)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)acetate

C19H16N2O3S — CID 102361310

IUPACethyl (2Z)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)acetate
SMILESCCOC(=O)/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C19H16N2O3S/c1-2-24-17(22)13-16-18(23)21(15-11-7-4-8-12-15)19(25-16)20-14-9-5-3-6-10-14/h3-13H,2H2,1H3/b16-13-,20-19-
InChIKeyFIRBMRLEAJITIR-OROSMMNWSA-N
MW352.42 g/mol
LogP3.90
Rot. Bonds4

About ethyl (2Z)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)acetate

ethyl (2Z)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)acetate (PubChem CID 102361310) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is ethyl (2Z)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)acetate
PubChem CID102361310
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Nameethyl (2Z)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)acetate
SMILESCCOC(=O)/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C19H16N2O3S/c1-2-24-17(22)13-16-18(23)21(15-11-7-4-8-12-15)19(25-16)20-14-9-5-3-6-10-14/h3-13H,2H2,1H3/b16-13-,20-19-
InChIKeyFIRBMRLEAJITIR-OROSMMNWSA-N
XLogP3.90
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

ethyl (2Z)-2-[(2Z)-2-[(4-methylphenyl)sulfonylhydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
CID 154584437
(5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 118542137
(5E)-5-[(2-methoxynaphthalen-1-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 22305747
ethyl 5-[[5-(2-methoxy-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]amino]-3-(2-oxopropyl)imidazole-4-carboxylate
CID 1497119
(5Z)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126125335
(5Z)-5-[(5-methoxy-2-pyridinyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 118548188
(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 21374273
methyl 2-[4-oxo-3-phenyl-2-(2-phenylacetyl)imino-1,3-thiazolidin-5-ylidene]acetate
CID 139669909
(5E)-5-[(3,5-dibromo-2-ethoxyphenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 126093328
propan-2-yl 2-[4-[(Z)-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
CID 126193059
(5Z)-5-[(2,3,4,5,6-pentafluorophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 56694403
ethyl 4-[[3-benzyl-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 4033933

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)acetate (CID 102361310) is ethyl (2Z)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)acetate is CCOC(=O)/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of ethyl (2Z)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)acetate?
The InChIKey is FIRBMRLEAJITIR-OROSMMNWSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-2-24-17(22)13-16-18(23)21(15-11-7-4-8-12-15)19(25-16)20-14-9-5-3-6-10-14/h3-13H,2H2,1H3/b16-13-,20-19-.
What are the key properties of ethyl (2Z)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)acetate?
ethyl (2Z)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)acetate has a molecular weight of 352.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)acetate is sourced from PubChem (CID 102361310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).