5-[[4-[(4-pyridin-2-ylmorpholin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C20H21N3O4S — CID 10668623

IUPAC5-[[4-[(4-pyridin-2-ylmorpholin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(OCC3CN(c4ccccn4)CCO3)cc2)S1
InChIInChI=1S/C20H21N3O4S/c24-19-17(28-20(25)22-19)11-14-4-6-15(7-5-14)27-13-16-12-23(9-10-26-16)18-3-1-2-8-21-18/h1-8,16-17H,9-13H2,(H,22,24,25)
InChIKeyBFPDABDSWKDGOH-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.26
Rot. Bonds6

About 5-[[4-[(4-pyridin-2-ylmorpholin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[(4-pyridin-2-ylmorpholin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 10668623) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 5-[[4-[(4-pyridin-2-ylmorpholin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(4-pyridin-2-ylmorpholin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID10668623
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name5-[[4-[(4-pyridin-2-ylmorpholin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(OCC3CN(c4ccccn4)CCO3)cc2)S1
InChIInChI=1S/C20H21N3O4S/c24-19-17(28-20(25)22-19)11-14-4-6-15(7-5-14)27-13-16-12-23(9-10-26-16)18-3-1-2-8-21-18/h1-8,16-17H,9-13H2,(H,22,24,25)
InChIKeyBFPDABDSWKDGOH-UHFFFAOYSA-N
XLogP2.26
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-pyridin-2-ylmorpholin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(4-pyridin-2-ylmorpholin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 10668623) is 5-[[4-[(4-pyridin-2-ylmorpholin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(4-pyridin-2-ylmorpholin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(4-pyridin-2-ylmorpholin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccc(OCC3CN(c4ccccn4)CCO3)cc2)S1.
What is the InChIKey of 5-[[4-[(4-pyridin-2-ylmorpholin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is BFPDABDSWKDGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c24-19-17(28-20(25)22-19)11-14-4-6-15(7-5-14)27-13-16-12-23(9-10-26-16)18-3-1-2-8-21-18/h1-8,16-17H,9-13H2,(H,22,24,25).
What are the key properties of 5-[[4-[(4-pyridin-2-ylmorpholin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[(4-pyridin-2-ylmorpholin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 399.47 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-pyridin-2-ylmorpholin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10668623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).