5-[[4-methoxy-3-[3-(methylamino)propoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C15H20N2O4S — CID 58870347

IUPAC5-[[4-methoxy-3-[3-(methylamino)propoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCNCCCOc1cc(CC2SC(=O)NC2=O)ccc1OC
InChIInChI=1S/C15H20N2O4S/c1-16-6-3-7-21-12-8-10(4-5-11(12)20-2)9-13-14(18)17-15(19)22-13/h4-5,8,13,16H,3,6-7,9H2,1-2H3,(H,17,18,19)
InChIKeyVDHFGASNXHEHNG-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.58
Rot. Bonds8

About 5-[[4-methoxy-3-[3-(methylamino)propoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-methoxy-3-[3-(methylamino)propoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 58870347) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 5-[[4-methoxy-3-[3-(methylamino)propoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-methoxy-3-[3-(methylamino)propoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID58870347
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name5-[[4-methoxy-3-[3-(methylamino)propoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCNCCCOc1cc(CC2SC(=O)NC2=O)ccc1OC
InChIInChI=1S/C15H20N2O4S/c1-16-6-3-7-21-12-8-10(4-5-11(12)20-2)9-13-14(18)17-15(19)22-13/h4-5,8,13,16H,3,6-7,9H2,1-2H3,(H,17,18,19)
InChIKeyVDHFGASNXHEHNG-UHFFFAOYSA-N
XLogP1.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-methoxy-3-[3-(methylamino)propoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-methoxy-3-[3-(methylamino)propoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 58870347) is 5-[[4-methoxy-3-[3-(methylamino)propoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-methoxy-3-[3-(methylamino)propoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-methoxy-3-[3-(methylamino)propoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CNCCCOc1cc(CC2SC(=O)NC2=O)ccc1OC.
What is the InChIKey of 5-[[4-methoxy-3-[3-(methylamino)propoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is VDHFGASNXHEHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-16-6-3-7-21-12-8-10(4-5-11(12)20-2)9-13-14(18)17-15(19)22-13/h4-5,8,13,16H,3,6-7,9H2,1-2H3,(H,17,18,19).
What are the key properties of 5-[[4-methoxy-3-[3-(methylamino)propoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-methoxy-3-[3-(methylamino)propoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 324.40 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methoxy-3-[3-(methylamino)propoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 58870347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).