5-[[4-[2-hydroxy-2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C19H20N2O5S — CID 162625100

IUPAC5-[[4-[2-hydroxy-2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCC(O)c1ccc(C(O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1
InChIInChI=1S/C19H20N2O5S/c1-11(22)13-4-7-15(20-9-13)16(23)10-26-14-5-2-12(3-6-14)8-17-18(24)21-19(25)27-17/h2-7,9,11,16-17,22-23H,8,10H2,1H3,(H,21,24,25)
InChIKeyYYDPBNAZWVLEQF-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.14
Rot. Bonds7

About 5-[[4-[2-hydroxy-2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[2-hydroxy-2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 162625100) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is 5-[[4-[2-hydroxy-2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-hydroxy-2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID162625100
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name5-[[4-[2-hydroxy-2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCC(O)c1ccc(C(O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1
InChIInChI=1S/C19H20N2O5S/c1-11(22)13-4-7-15(20-9-13)16(23)10-26-14-5-2-12(3-6-14)8-17-18(24)21-19(25)27-17/h2-7,9,11,16-17,22-23H,8,10H2,1H3,(H,21,24,25)
InChIKeyYYDPBNAZWVLEQF-UHFFFAOYSA-N
XLogP2.14
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.14
H-Bond Donors ≤ 53
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-[2-hydroxy-2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[2-hydroxy-2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 162625100) is 5-[[4-[2-hydroxy-2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-hydroxy-2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-hydroxy-2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CC(O)c1ccc(C(O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1.
What is the InChIKey of 5-[[4-[2-hydroxy-2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is YYDPBNAZWVLEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-11(22)13-4-7-15(20-9-13)16(23)10-26-14-5-2-12(3-6-14)8-17-18(24)21-19(25)27-17/h2-7,9,11,16-17,22-23H,8,10H2,1H3,(H,21,24,25).
What are the key properties of 5-[[4-[2-hydroxy-2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[2-hydroxy-2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 388.45 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-hydroxy-2-[5-(1-hydroxyethyl)-2-pyridinyl]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 162625100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).