(5E)-2-(2-methylphenyl)imino-5-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one

C23H23N3O3S — CID 135892882

IUPAC(5E)-2-(2-methylphenyl)imino-5-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=C1/NC(=O)/C(=C\c2ccccc2OCC(=O)N2CCCC2)S1
InChIInChI=1S/C23H23N3O3S/c1-16-8-2-4-10-18(16)24-23-25-22(28)20(30-23)14-17-9-3-5-11-19(17)29-15-21(27)26-12-6-7-13-26/h2-5,8-11,14H,6-7,12-13,15H2,1H3,(H,24,25,28)/b20-14+
InChIKeyUDNBJKWHRIQHBD-XSFVSMFZSA-N
MW421.52 g/mol
LogP3.89
Rot. Bonds5

About (5E)-2-(2-methylphenyl)imino-5-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one

(5E)-2-(2-methylphenyl)imino-5-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 135892882) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is (5E)-2-(2-methylphenyl)imino-5-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(2-methylphenyl)imino-5-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID135892882
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name(5E)-2-(2-methylphenyl)imino-5-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1/N=C1/NC(=O)/C(=C\c2ccccc2OCC(=O)N2CCCC2)S1
InChIInChI=1S/C23H23N3O3S/c1-16-8-2-4-10-18(16)24-23-25-22(28)20(30-23)14-17-9-3-5-11-19(17)29-15-21(27)26-12-6-7-13-26/h2-5,8-11,14H,6-7,12-13,15H2,1H3,(H,24,25,28)/b20-14+
InChIKeyUDNBJKWHRIQHBD-XSFVSMFZSA-N
XLogP3.89
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
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

(5Z)-2-(2-methylphenyl)imino-5-[(2-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135766088
2-[2-[(E)-[2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 135948194
[2-[(Z)-[2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] benzoate
CID 137089278
2-[2-[(E)-[2-(2-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
CID 135948193
ethyl 2-[2-[(Z)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
CID 136794886
3-[[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-4-methylbenzoic acid
CID 135522733
ethyl 2-[2-[(E)-[2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
CID 137079508
2-(3-chloro-2-methylphenyl)imino-5-[(2-propoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135504855
2-(2-methoxyphenyl)imino-5-[(2-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486739
(5Z)-5-[[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-2-(2,3-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137093802
2-[2-[(E)-[2-(2,3-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 135941534
2-[2-[(E)-[2-(2,3-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide
CID 137081151

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(2-methylphenyl)imino-5-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(2-methylphenyl)imino-5-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (CID 135892882) is (5E)-2-(2-methylphenyl)imino-5-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(2-methylphenyl)imino-5-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(2-methylphenyl)imino-5-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is Cc1ccccc1/N=C1/NC(=O)/C(=C\c2ccccc2OCC(=O)N2CCCC2)S1.
What is the InChIKey of (5E)-2-(2-methylphenyl)imino-5-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is UDNBJKWHRIQHBD-XSFVSMFZSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-16-8-2-4-10-18(16)24-23-25-22(28)20(30-23)14-17-9-3-5-11-19(17)29-15-21(27)26-12-6-7-13-26/h2-5,8-11,14H,6-7,12-13,15H2,1H3,(H,24,25,28)/b20-14+.
What are the key properties of (5E)-2-(2-methylphenyl)imino-5-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(2-methylphenyl)imino-5-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 421.52 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(2-methylphenyl)imino-5-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135892882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).