methyl (2Z)-2-cyano-2-[4-oxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-2-ylidene]acetate

C19H14N2O4S — CID 144675323

IUPACmethyl (2Z)-2-cyano-2-[4-oxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-2-ylidene]acetate
SMILESCOC(=O)/C(C#N)=C1\SCC(=O)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H14N2O4S/c1-24-19(23)16(11-20)18-21(17(22)12-26-18)13-7-9-15(10-8-13)25-14-5-3-2-4-6-14/h2-10H,12H2,1H3/b18-16-
InChIKeyMMVLZNJVNGPIHH-VLGSPTGOSA-N
MW366.40 g/mol
LogP3.47
Rot. Bonds4

About methyl (2Z)-2-cyano-2-[4-oxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-2-ylidene]acetate

methyl (2Z)-2-cyano-2-[4-oxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 144675323) has the molecular formula C19H14N2O4S and a molecular weight of 366.40 g/mol. Its IUPAC name is methyl (2Z)-2-cyano-2-[4-oxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-cyano-2-[4-oxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-2-ylidene]acetate
PubChem CID144675323
Molecular FormulaC19H14N2O4S
Molecular Weight366.40 g/mol
Exact Mass366.07
IUPAC Namemethyl (2Z)-2-cyano-2-[4-oxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-2-ylidene]acetate
SMILESCOC(=O)/C(C#N)=C1\SCC(=O)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H14N2O4S/c1-24-19(23)16(11-20)18-21(17(22)12-26-18)13-7-9-15(10-8-13)25-14-5-3-2-4-6-14/h2-10H,12H2,1H3/b18-16-
InChIKeyMMVLZNJVNGPIHH-VLGSPTGOSA-N
XLogP3.47
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl (2Z)-2-cyano-2-[4-oxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-2-ylidene]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[3-(3-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate
CID 123189501
methyl 2-[3-(2-chloro-4-pyridinyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetate
CID 123817096
methyl (2Z)-2-cyano-2-[3-[2,6-difluoro-4-(3-methoxyphenyl)phenyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 144675349
(2E)-2-cyano-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 2341069
(2Z)-2-cyano-2-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide
CID 18875363
(2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
CID 18875869
(2Z)-2-cyano-2-[3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 18876006
(2Z)-2-cyano-N-(3,4-dichlorophenyl)-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide
CID 6229473
methyl (Z)-3-amino-2-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]but-2-enoate
CID 6533519
methyl (2Z)-3-amino-2-[3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanoate
CID 137348614
(2Z)-2-cyano-2-[3-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-phenylacetamide
CID 18875502
(2Z)-2-(benzenesulfonyl)-2-[3-(4-butylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 2014729

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-cyano-2-[4-oxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of methyl (2Z)-2-cyano-2-[4-oxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-2-ylidene]acetate (CID 144675323) is methyl (2Z)-2-cyano-2-[4-oxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-cyano-2-[4-oxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for methyl (2Z)-2-cyano-2-[4-oxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-2-ylidene]acetate is COC(=O)/C(C#N)=C1\SCC(=O)N1c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of methyl (2Z)-2-cyano-2-[4-oxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is MMVLZNJVNGPIHH-VLGSPTGOSA-N. The full InChI is InChI=1S/C19H14N2O4S/c1-24-19(23)16(11-20)18-21(17(22)12-26-18)13-7-9-15(10-8-13)25-14-5-3-2-4-6-14/h2-10H,12H2,1H3/b18-16-.
What are the key properties of methyl (2Z)-2-cyano-2-[4-oxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-2-ylidene]acetate?
methyl (2Z)-2-cyano-2-[4-oxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 366.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-cyano-2-[4-oxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 144675323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).