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

C20H19NO4S — CID 14459921

IUPAC5-[[4-[3-(4-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(CCC(=O)c2ccc(CC3SC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C20H19NO4S/c1-25-16-9-4-13(5-10-16)6-11-17(22)15-7-2-14(3-8-15)12-18-19(23)21-20(24)26-18/h2-5,7-10,18H,6,11-12H2,1H3,(H,21,23,24)
InChIKeyQGUWHOKFRHUBJX-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.40
Rot. Bonds7

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

5-[[4-[3-(4-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 14459921) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 5-[[4-[3-(4-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[3-(4-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID14459921
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name5-[[4-[3-(4-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(CCC(=O)c2ccc(CC3SC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C20H19NO4S/c1-25-16-9-4-13(5-10-16)6-11-17(22)15-7-2-14(3-8-15)12-18-19(23)21-20(24)26-18/h2-5,7-10,18H,6,11-12H2,1H3,(H,21,23,24)
InChIKeyQGUWHOKFRHUBJX-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-(4-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[3-(4-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 14459921) is 5-[[4-[3-(4-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[3-(4-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[3-(4-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione is COc1ccc(CCC(=O)c2ccc(CC3SC(=O)NC3=O)cc2)cc1.
What is the InChIKey of 5-[[4-[3-(4-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is QGUWHOKFRHUBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-25-16-9-4-13(5-10-16)6-11-17(22)15-7-2-14(3-8-15)12-18-19(23)21-20(24)26-18/h2-5,7-10,18H,6,11-12H2,1H3,(H,21,23,24).
What are the key properties of 5-[[4-[3-(4-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[3-(4-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-(4-methoxyphenyl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 14459921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).