5-[[4-[3-(2-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C20H19NO4S — CID 14459916

IUPAC5-[[4-[3-(2-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccccc1CCC(=O)c1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C20H19NO4S/c1-25-17-5-3-2-4-15(17)10-11-16(22)14-8-6-13(7-9-14)12-18-19(23)21-20(24)26-18/h2-9,18H,10-12H2,1H3,(H,21,23,24)
InChIKeyBUHUZRUUVAJLBG-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.40
Rot. Bonds7

About 5-[[4-[3-(2-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[3-(2-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 14459916) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 5-[[4-[3-(2-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[3-(2-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID14459916
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name5-[[4-[3-(2-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccccc1CCC(=O)c1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C20H19NO4S/c1-25-17-5-3-2-4-15(17)10-11-16(22)14-8-6-13(7-9-14)12-18-19(23)21-20(24)26-18/h2-9,18H,10-12H2,1H3,(H,21,23,24)
InChIKeyBUHUZRUUVAJLBG-UHFFFAOYSA-N
XLogP3.40
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-(2-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[3-(2-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 14459916) is 5-[[4-[3-(2-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[3-(2-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[3-(2-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione is COc1ccccc1CCC(=O)c1ccc(CC2SC(=O)NC2=O)cc1.
What is the InChIKey of 5-[[4-[3-(2-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is BUHUZRUUVAJLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-25-17-5-3-2-4-15(17)10-11-16(22)14-8-6-13(7-9-14)12-18-19(23)21-20(24)26-18/h2-9,18H,10-12H2,1H3,(H,21,23,24).
What are the key properties of 5-[[4-[3-(2-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[3-(2-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 369.44 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[3-(2-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 14459916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).