(5Z)-5-benzylidene-3-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazolidine-2,4-dione

C19H17NO4S — CID 2318336

IUPAC(5Z)-5-benzylidene-3-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccccc1OCCN1C(=O)S/C(=C\c2ccccc2)C1=O
InChIInChI=1S/C19H17NO4S/c1-23-15-9-5-6-10-16(15)24-12-11-20-18(21)17(25-19(20)22)13-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3/b17-13-
InChIKeyWIXCMUJPMUCAPB-LGMDPLHJSA-N
MW355.42 g/mol
LogP3.81
Rot. Bonds6

About (5Z)-5-benzylidene-3-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazolidine-2,4-dione

(5Z)-5-benzylidene-3-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazolidine-2,4-dione (PubChem CID 2318336) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazolidine-2,4-dione
PubChem CID2318336
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name(5Z)-5-benzylidene-3-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccccc1OCCN1C(=O)S/C(=C\c2ccccc2)C1=O
InChIInChI=1S/C19H17NO4S/c1-23-15-9-5-6-10-16(15)24-12-11-20-18(21)17(25-19(20)22)13-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3/b17-13-
InChIKeyWIXCMUJPMUCAPB-LGMDPLHJSA-N
XLogP3.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-benzylidene-3-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 2318337
N-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-methoxyethoxy)benzamide
CID 55997693
(5Z)-5-benzylidene-3-[2-[(5Z)-5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 2318333
N-[2-[5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-(2-methoxyphenoxy)propanamide
CID 4833293
(5Z)-5-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-3-(2-phenylethyl)-1,3-thiazolidine-2,4-dione
CID 126149640
2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethylazanium
CID 3596061
(5E)-3-(2-methoxyethyl)-5-[(4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126154589
(5Z)-5-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione
CID 126140771
(5Z)-3-[2-(4-tert-butylphenoxy)ethyl]-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2317784
(5Z)-3-(2-phenylethyl)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126014629
(5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-3-[2-(4-fluorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 126062836
(5Z)-5-[[2-hydroxy-5-(naphthalen-1-yldiazenyl)phenyl]methylidene]-3-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazolidine-2,4-dione
CID 135968467

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-3-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-benzylidene-3-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazolidine-2,4-dione (CID 2318336) is (5Z)-5-benzylidene-3-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-benzylidene-3-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-benzylidene-3-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazolidine-2,4-dione is COc1ccccc1OCCN1C(=O)S/C(=C\c2ccccc2)C1=O.
What is the InChIKey of (5Z)-5-benzylidene-3-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is WIXCMUJPMUCAPB-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-23-15-9-5-6-10-16(15)24-12-11-20-18(21)17(25-19(20)22)13-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3/b17-13-.
What are the key properties of (5Z)-5-benzylidene-3-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazolidine-2,4-dione?
(5Z)-5-benzylidene-3-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 355.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-3-[2-(2-methoxyphenoxy)ethyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2318336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).