5-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-1,3-thiazolidine-2,4-dione

C14H17NO4S — CID 22961925

IUPAC5-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-1,3-thiazolidine-2,4-dione
SMILESCOCCc1ccc(OCCC2SC(=O)NC2=O)cc1
InChIInChI=1S/C14H17NO4S/c1-18-8-6-10-2-4-11(5-3-10)19-9-7-12-13(16)15-14(17)20-12/h2-5,12H,6-9H2,1H3,(H,15,16,17)
InChIKeyCIDCFCMXAOIGBJ-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.00
Rot. Bonds7

About 5-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-1,3-thiazolidine-2,4-dione

5-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-1,3-thiazolidine-2,4-dione (PubChem CID 22961925) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-1,3-thiazolidine-2,4-dione
PubChem CID22961925
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name5-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-1,3-thiazolidine-2,4-dione
SMILESCOCCc1ccc(OCCC2SC(=O)NC2=O)cc1
InChIInChI=1S/C14H17NO4S/c1-18-8-6-10-2-4-11(5-3-10)19-9-7-12-13(16)15-14(17)20-12/h2-5,12H,6-9H2,1H3,(H,15,16,17)
InChIKeyCIDCFCMXAOIGBJ-UHFFFAOYSA-N
XLogP2.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-1,3-thiazolidine-2,4-dione 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

4-[2-(2,4-dioxo-1,3-thiazolidin-5-yl)ethoxy]benzoic acid
CID 22961921
5-[[4-[2-[4-(trifluoromethyl)phenyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 139710435
(5S)-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 130307890
2-methoxyethyl 3-(2,4-dioxo-1,3-thiazolidin-5-yl)propanoate
CID 139831688
5-[[4-[[4-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22416575
5-[[4-[2-(4-methoxyphenyl)ethoxy]cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 130308018
3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]propanal
CID 10492928
5-[[4-(4-bromobutoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 141462409
5-[[4-[2-(3-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14546515
5-[[4-[2-[(3S,4R)-3,4-diethoxy-1-methylpyrrolidin-2-yl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 101228565
5-[[4-[5-[3-[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]pentoxy]phenoxy]pentoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22416604
sodium;hydride;2-phenylethyl N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]ethyl]-N-methylcarbamate
CID 173361637

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-1,3-thiazolidine-2,4-dione (CID 22961925) is 5-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-1,3-thiazolidine-2,4-dione is COCCc1ccc(OCCC2SC(=O)NC2=O)cc1.
What is the InChIKey of 5-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is CIDCFCMXAOIGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-18-8-6-10-2-4-11(5-3-10)19-9-7-12-13(16)15-14(17)20-12/h2-5,12H,6-9H2,1H3,(H,15,16,17).
What are the key properties of 5-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-1,3-thiazolidine-2,4-dione?
5-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 295.36 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 22961925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).