5-[[4-[2-(4-methoxyphenyl)ethoxy]cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazolidine-2,4-dione

C19H21NO4S — CID 130308018

IUPAC5-[[4-[2-(4-methoxyphenyl)ethoxy]cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(CCOC2=CC=C(CC3SC(=O)NC3=O)CC2)cc1
InChIInChI=1S/C19H21NO4S/c1-23-15-6-2-13(3-7-15)10-11-24-16-8-4-14(5-9-16)12-17-18(21)20-19(22)25-17/h2-4,6-8,17H,5,9-12H2,1H3,(H,20,21,22)
InChIKeyFSNAEUCNYDUXDG-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.60
Rot. Bonds7

About 5-[[4-[2-(4-methoxyphenyl)ethoxy]cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[2-(4-methoxyphenyl)ethoxy]cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 130308018) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 5-[[4-[2-(4-methoxyphenyl)ethoxy]cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-(4-methoxyphenyl)ethoxy]cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID130308018
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name5-[[4-[2-(4-methoxyphenyl)ethoxy]cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(CCOC2=CC=C(CC3SC(=O)NC3=O)CC2)cc1
InChIInChI=1S/C19H21NO4S/c1-23-15-6-2-13(3-7-15)10-11-24-16-8-4-14(5-9-16)12-17-18(21)20-19(22)25-17/h2-4,6-8,17H,5,9-12H2,1H3,(H,20,21,22)
InChIKeyFSNAEUCNYDUXDG-UHFFFAOYSA-N
XLogP3.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[[4-[2-(4-methoxyphenyl)ethoxy]cyclohexa-1,3-dien-1-yl]methyl]-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

5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methylamino]ethoxy]cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 163469821
5-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-1,3-thiazolidine-2,4-dione
CID 22961925
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
5-[[4-(4-bromobutoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 141462409
5-[[4-[2-(1λ3-ioda-2-azacyclohexa-1,3,5-trien-3-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 142851354
5-[[4-[2-(4,6-dimethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14546516
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-(3-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14546515
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
5-[[4-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid
CID 53354542
5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10127979

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(4-methoxyphenyl)ethoxy]cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[2-(4-methoxyphenyl)ethoxy]cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazolidine-2,4-dione (CID 130308018) is 5-[[4-[2-(4-methoxyphenyl)ethoxy]cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-(4-methoxyphenyl)ethoxy]cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-(4-methoxyphenyl)ethoxy]cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazolidine-2,4-dione is COc1ccc(CCOC2=CC=C(CC3SC(=O)NC3=O)CC2)cc1.
What is the InChIKey of 5-[[4-[2-(4-methoxyphenyl)ethoxy]cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is FSNAEUCNYDUXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-23-15-6-2-13(3-7-15)10-11-24-16-8-4-14(5-9-16)12-17-18(21)20-19(22)25-17/h2-4,6-8,17H,5,9-12H2,1H3,(H,20,21,22).
What are the key properties of 5-[[4-[2-(4-methoxyphenyl)ethoxy]cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[2-(4-methoxyphenyl)ethoxy]cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 359.45 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(4-methoxyphenyl)ethoxy]cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 130308018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).