methyl 2-[4-oxo-3-phenyl-2-(2-phenylacetyl)imino-1,3-thiazolidin-5-ylidene]acetate

C20H16N2O4S — CID 139669909

IUPACmethyl 2-[4-oxo-3-phenyl-2-(2-phenylacetyl)imino-1,3-thiazolidin-5-ylidene]acetate
SMILESCOC(=O)C=C1S/C(=N\C(=O)Cc2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C20H16N2O4S/c1-26-18(24)13-16-19(25)22(15-10-6-3-7-11-15)20(27-16)21-17(23)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3/b16-13?,21-20-
InChIKeyVTDXSJCHJZXOHZ-WDGCQMDASA-N
MW380.43 g/mol
LogP2.95
Rot. Bonds4

About methyl 2-[4-oxo-3-phenyl-2-(2-phenylacetyl)imino-1,3-thiazolidin-5-ylidene]acetate

methyl 2-[4-oxo-3-phenyl-2-(2-phenylacetyl)imino-1,3-thiazolidin-5-ylidene]acetate (PubChem CID 139669909) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is methyl 2-[4-oxo-3-phenyl-2-(2-phenylacetyl)imino-1,3-thiazolidin-5-ylidene]acetate.

Molecular Properties

Compound Namemethyl 2-[4-oxo-3-phenyl-2-(2-phenylacetyl)imino-1,3-thiazolidin-5-ylidene]acetate
PubChem CID139669909
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Namemethyl 2-[4-oxo-3-phenyl-2-(2-phenylacetyl)imino-1,3-thiazolidin-5-ylidene]acetate
SMILESCOC(=O)C=C1S/C(=N\C(=O)Cc2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C20H16N2O4S/c1-26-18(24)13-16-19(25)22(15-10-6-3-7-11-15)20(27-16)21-17(23)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3/b16-13?,21-20-
InChIKeyVTDXSJCHJZXOHZ-WDGCQMDASA-N
XLogP2.95
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.95
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

methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylimino]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
CID 139670007
methyl (2E)-2-[2-(naphthalene-2-carbonylimino)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
CID 90668344
methyl (2Z)-2-[3-[2-[(5Z)-5-(2-methoxy-2-oxoethylidene)-4-oxo-2-pentanoylimino-1,3-thiazolidin-3-yl]phenyl]-4-oxo-2-pentanoylimino-1,3-thiazolidin-5-ylidene]acetate
CID 134612345
methyl (2Z)-2-(2-imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate
CID 139237246
methyl 2-[2-[(4-nitrophenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
CID 73262756
ethyl (2Z)-2-(4-oxo-3-phenyl-2-phenylimino-1,3-thiazolidin-5-ylidene)acetate
CID 102361310
methyl (2E)-2-[3-(4-methoxyphenyl)-4-oxo-2-prop-2-enylimino-1,3-thiazolidin-5-ylidene]acetate
CID 2719217
methyl (2Z)-2-[2-benzylimino-3-[3-[(5Z)-2-benzylimino-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]propyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 139234613
methyl (2E)-2-[3-(3-chlorophenyl)-2-(4-methylbenzoyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 90668337
methyl (2Z)-2-[2-(2,2-dimethylpropanoylimino)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 139237224
ethyl (2Z)-2-[(2Z)-2-[(4-methylphenyl)sulfonylhydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
CID 154584437
2-aminoethyl 2-[2-(2-chlorobenzoyl)imino-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]acetate
CID 139670008

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-oxo-3-phenyl-2-(2-phenylacetyl)imino-1,3-thiazolidin-5-ylidene]acetate?
The IUPAC name of methyl 2-[4-oxo-3-phenyl-2-(2-phenylacetyl)imino-1,3-thiazolidin-5-ylidene]acetate (CID 139669909) is methyl 2-[4-oxo-3-phenyl-2-(2-phenylacetyl)imino-1,3-thiazolidin-5-ylidene]acetate.
What is the SMILES notation for methyl 2-[4-oxo-3-phenyl-2-(2-phenylacetyl)imino-1,3-thiazolidin-5-ylidene]acetate?
The canonical SMILES for methyl 2-[4-oxo-3-phenyl-2-(2-phenylacetyl)imino-1,3-thiazolidin-5-ylidene]acetate is COC(=O)C=C1S/C(=N\C(=O)Cc2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of methyl 2-[4-oxo-3-phenyl-2-(2-phenylacetyl)imino-1,3-thiazolidin-5-ylidene]acetate?
The InChIKey is VTDXSJCHJZXOHZ-WDGCQMDASA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-26-18(24)13-16-19(25)22(15-10-6-3-7-11-15)20(27-16)21-17(23)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3/b16-13?,21-20-.
What are the key properties of methyl 2-[4-oxo-3-phenyl-2-(2-phenylacetyl)imino-1,3-thiazolidin-5-ylidene]acetate?
methyl 2-[4-oxo-3-phenyl-2-(2-phenylacetyl)imino-1,3-thiazolidin-5-ylidene]acetate has a molecular weight of 380.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-oxo-3-phenyl-2-(2-phenylacetyl)imino-1,3-thiazolidin-5-ylidene]acetate is sourced from PubChem (CID 139669909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).