5-[[4-[(2S)-2-(5-ethyl-1,2-dihydropyridin-2-yl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C19H22N2O4S — CID 130308054

IUPAC5-[[4-[(2S)-2-(5-ethyl-1,2-dihydropyridin-2-yl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCC1=CNC([C@H](O)COc2ccc(CC3SC(=O)NC3=O)cc2)C=C1
InChIInChI=1S/C19H22N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,15-17,20,22H,2,9,11H2,1H3,(H,21,23,24)/t15?,16-,17?/m1/s1
InChIKeyPVWWCZBXQFLTJT-AQFXKWCLSA-N
MW374.46 g/mol
LogP2.14
Rot. Bonds7

About 5-[[4-[(2S)-2-(5-ethyl-1,2-dihydropyridin-2-yl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[(2S)-2-(5-ethyl-1,2-dihydropyridin-2-yl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 130308054) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 5-[[4-[(2S)-2-(5-ethyl-1,2-dihydropyridin-2-yl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(2S)-2-(5-ethyl-1,2-dihydropyridin-2-yl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID130308054
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name5-[[4-[(2S)-2-(5-ethyl-1,2-dihydropyridin-2-yl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCC1=CNC([C@H](O)COc2ccc(CC3SC(=O)NC3=O)cc2)C=C1
InChIInChI=1S/C19H22N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,15-17,20,22H,2,9,11H2,1H3,(H,21,23,24)/t15?,16-,17?/m1/s1
InChIKeyPVWWCZBXQFLTJT-AQFXKWCLSA-N
XLogP2.14
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[[4-[(2S)-2-(5-ethyl-1,2-dihydropyridin-2-yl)-2-hydroxyethoxy]phenyl]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

(5S)-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 130307890
5-[[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 23651403
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-[(2R)-2-amino-4-methylpentoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 86748815
5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-(1-hydroxyethoxy)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 130308111
3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]propanal
CID 10492928
5-[[4-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid
CID 53354542
sodium 5-[[4-[2-(5-ethyl-2-pyridinyl)-3-hydroxypropoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 23325415
methyl (3S)-4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]-3-(5-ethyl-2-pyridinyl)butanoate
CID 126611466
5-[[4-[(1-ethylcyclohexyl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 12944217
5-[[4-[(2R)-2-hydroxy-2-(3-methoxycyclohexa-1,5-dien-1-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 130308065
5-[[4-(4-bromobutoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 141462409

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2S)-2-(5-ethyl-1,2-dihydropyridin-2-yl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(2S)-2-(5-ethyl-1,2-dihydropyridin-2-yl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 130308054) is 5-[[4-[(2S)-2-(5-ethyl-1,2-dihydropyridin-2-yl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(2S)-2-(5-ethyl-1,2-dihydropyridin-2-yl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(2S)-2-(5-ethyl-1,2-dihydropyridin-2-yl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CCC1=CNC([C@H](O)COc2ccc(CC3SC(=O)NC3=O)cc2)C=C1.
What is the InChIKey of 5-[[4-[(2S)-2-(5-ethyl-1,2-dihydropyridin-2-yl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is PVWWCZBXQFLTJT-AQFXKWCLSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,15-17,20,22H,2,9,11H2,1H3,(H,21,23,24)/t15?,16-,17?/m1/s1.
What are the key properties of 5-[[4-[(2S)-2-(5-ethyl-1,2-dihydropyridin-2-yl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[(2S)-2-(5-ethyl-1,2-dihydropyridin-2-yl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 374.46 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2S)-2-(5-ethyl-1,2-dihydropyridin-2-yl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 130308054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).