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

C18H18N2O4S — CID 23325406

IUPAC4-[[4-[2-hydroxy-2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione
SMILESCc1ccc(C(O)COc2ccc(CC3NC(=O)SC3=O)cc2)nc1
InChIInChI=1S/C18H18N2O4S/c1-11-2-7-14(19-9-11)16(21)10-24-13-5-3-12(4-6-13)8-15-17(22)25-18(23)20-15/h2-7,9,15-16,21H,8,10H2,1H3,(H,20,23)
InChIKeyQMJFEIMKMLHIAJ-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.40
Rot. Bonds6

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

4-[[4-[2-hydroxy-2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione (PubChem CID 23325406) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-[[4-[2-hydroxy-2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione.

Molecular Properties

Compound Name4-[[4-[2-hydroxy-2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione
PubChem CID23325406
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name4-[[4-[2-hydroxy-2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione
SMILESCc1ccc(C(O)COc2ccc(CC3NC(=O)SC3=O)cc2)nc1
InChIInChI=1S/C18H18N2O4S/c1-11-2-7-14(19-9-11)16(21)10-24-13-5-3-12(4-6-13)8-15-17(22)25-18(23)20-15/h2-7,9,15-16,21H,8,10H2,1H3,(H,20,23)
InChIKeyQMJFEIMKMLHIAJ-UHFFFAOYSA-N
XLogP2.40
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-hydroxy-2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione?
The IUPAC name of 4-[[4-[2-hydroxy-2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione (CID 23325406) is 4-[[4-[2-hydroxy-2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione.
What is the SMILES notation for 4-[[4-[2-hydroxy-2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione?
The canonical SMILES for 4-[[4-[2-hydroxy-2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione is Cc1ccc(C(O)COc2ccc(CC3NC(=O)SC3=O)cc2)nc1.
What is the InChIKey of 4-[[4-[2-hydroxy-2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione?
The InChIKey is QMJFEIMKMLHIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-11-2-7-14(19-9-11)16(21)10-24-13-5-3-12(4-6-13)8-15-17(22)25-18(23)20-15/h2-7,9,15-16,21H,8,10H2,1H3,(H,20,23).
What are the key properties of 4-[[4-[2-hydroxy-2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione?
4-[[4-[2-hydroxy-2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione has a molecular weight of 358.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-hydroxy-2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,5-dione is sourced from PubChem (CID 23325406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).