5-[[4-(2-chlorophenoxy)-2-ethoxyphenyl]methyl]-1,3-thiazolidine-2,4-dione

C18H16ClNO4S — CID 143273850

IUPAC5-[[4-(2-chlorophenoxy)-2-ethoxyphenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCOc1cc(Oc2ccccc2Cl)ccc1CC1SC(=O)NC1=O
InChIInChI=1S/C18H16ClNO4S/c1-2-23-15-10-12(24-14-6-4-3-5-13(14)19)8-7-11(15)9-16-17(21)20-18(22)25-16/h3-8,10,16H,2,9H2,1H3,(H,20,21,22)
InChIKeyJUKIGBKDEJELFT-UHFFFAOYSA-N
MW377.85 g/mol
LogP4.43
Rot. Bonds6

About 5-[[4-(2-chlorophenoxy)-2-ethoxyphenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-(2-chlorophenoxy)-2-ethoxyphenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 143273850) has the molecular formula C18H16ClNO4S and a molecular weight of 377.85 g/mol. Its IUPAC name is 5-[[4-(2-chlorophenoxy)-2-ethoxyphenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(2-chlorophenoxy)-2-ethoxyphenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID143273850
Molecular FormulaC18H16ClNO4S
Molecular Weight377.85 g/mol
Exact Mass377.05
IUPAC Name5-[[4-(2-chlorophenoxy)-2-ethoxyphenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCOc1cc(Oc2ccccc2Cl)ccc1CC1SC(=O)NC1=O
InChIInChI=1S/C18H16ClNO4S/c1-2-23-15-10-12(24-14-6-4-3-5-13(14)19)8-7-11(15)9-16-17(21)20-18(22)25-16/h3-8,10,16H,2,9H2,1H3,(H,20,21,22)
InChIKeyJUKIGBKDEJELFT-UHFFFAOYSA-N
XLogP4.43
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 54.43
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-(2-chlorophenoxy)-2-ethoxyphenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-(2-chlorophenoxy)-2-ethoxyphenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 143273850) is 5-[[4-(2-chlorophenoxy)-2-ethoxyphenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-(2-chlorophenoxy)-2-ethoxyphenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-(2-chlorophenoxy)-2-ethoxyphenyl]methyl]-1,3-thiazolidine-2,4-dione is CCOc1cc(Oc2ccccc2Cl)ccc1CC1SC(=O)NC1=O.
What is the InChIKey of 5-[[4-(2-chlorophenoxy)-2-ethoxyphenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is JUKIGBKDEJELFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO4S/c1-2-23-15-10-12(24-14-6-4-3-5-13(14)19)8-7-11(15)9-16-17(21)20-18(22)25-16/h3-8,10,16H,2,9H2,1H3,(H,20,21,22).
What are the key properties of 5-[[4-(2-chlorophenoxy)-2-ethoxyphenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-(2-chlorophenoxy)-2-ethoxyphenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 377.85 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-chlorophenoxy)-2-ethoxyphenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 143273850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).