(2Z)-3-[2-(4-methoxyphenoxy)ethyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

C21H21NO4S — CID 7707010

IUPAC(2Z)-3-[2-(4-methoxyphenoxy)ethyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(OCCN2C(=O)CS/C2=C\C(=O)c2ccccc2C)cc1
InChIInChI=1S/C21H21NO4S/c1-15-5-3-4-6-18(15)19(23)13-21-22(20(24)14-27-21)11-12-26-17-9-7-16(25-2)8-10-17/h3-10,13H,11-12,14H2,1-2H3/b21-13-
InChIKeyPLZBBASNQYQYOQ-BKUYFWCQSA-N
MW383.47 g/mol
LogP3.68
Rot. Bonds7

About (2Z)-3-[2-(4-methoxyphenoxy)ethyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

(2Z)-3-[2-(4-methoxyphenoxy)ethyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 7707010) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is (2Z)-3-[2-(4-methoxyphenoxy)ethyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[2-(4-methoxyphenoxy)ethyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID7707010
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC Name(2Z)-3-[2-(4-methoxyphenoxy)ethyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(OCCN2C(=O)CS/C2=C\C(=O)c2ccccc2C)cc1
InChIInChI=1S/C21H21NO4S/c1-15-5-3-4-6-18(15)19(23)13-21-22(20(24)14-27-21)11-12-26-17-9-7-16(25-2)8-10-17/h3-10,13H,11-12,14H2,1-2H3/b21-13-
InChIKeyPLZBBASNQYQYOQ-BKUYFWCQSA-N
XLogP3.68
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2Z)-3-[2-(4-methoxyphenoxy)ethyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

(2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-3-(2-phenoxyethyl)-1,3-thiazolidin-4-one
CID 7707011
(2Z)-3-[(2-methylphenyl)methyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 7707024
2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl 4-methoxybenzoate
CID 7503824
ethyl (2Z)-2-[3-[2-(4-methoxyphenyl)sulfanylethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 9063402
N-[(1R,2R)-2-methylcyclohexyl]-2-[(2Z)-2-[2-(2-methylphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 7707000
3-[2-(4-methylphenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 3240837
2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl 2-naphthalen-1-ylacetate
CID 7503846
2-[(2E)-2-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl 2-methylsulfanylbenzoate
CID 92934188
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275
2-[(2Z)-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 42904321
(E)-3-(4-methoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 75359470
2-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]-N-(4-methoxyphenyl)acetamide
CID 7668021

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-[2-(4-methoxyphenoxy)ethyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[2-(4-methoxyphenoxy)ethyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 7707010) is (2Z)-3-[2-(4-methoxyphenoxy)ethyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-[2-(4-methoxyphenoxy)ethyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[2-(4-methoxyphenoxy)ethyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is COc1ccc(OCCN2C(=O)CS/C2=C\C(=O)c2ccccc2C)cc1.
What is the InChIKey of (2Z)-3-[2-(4-methoxyphenoxy)ethyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is PLZBBASNQYQYOQ-BKUYFWCQSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-15-5-3-4-6-18(15)19(23)13-21-22(20(24)14-27-21)11-12-26-17-9-7-16(25-2)8-10-17/h3-10,13H,11-12,14H2,1-2H3/b21-13-.
What are the key properties of (2Z)-3-[2-(4-methoxyphenoxy)ethyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
(2Z)-3-[2-(4-methoxyphenoxy)ethyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one has a molecular weight of 383.47 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[2-(4-methoxyphenoxy)ethyl]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 7707010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).