2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one

C17H17NO2S — CID 2840254

IUPAC2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C17H17NO2S/c1-12-3-7-14(8-4-12)18-16(19)11-21-17(18)13-5-9-15(20-2)10-6-13/h3-10,17H,11H2,1-2H3
InChIKeyKRLVWIBDHJUQNJ-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.78
Rot. Bonds3

About 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one

2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 2840254) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID2840254
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C17H17NO2S/c1-12-3-7-14(8-4-12)18-16(19)11-21-17(18)13-5-9-15(20-2)10-6-13/h3-10,17H,11H2,1-2H3
InChIKeyKRLVWIBDHJUQNJ-UHFFFAOYSA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one (CID 2840254) is 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one is COc1ccc(C2SCC(=O)N2c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is KRLVWIBDHJUQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-12-3-7-14(8-4-12)18-16(19)11-21-17(18)13-5-9-15(20-2)10-6-13/h3-10,17H,11H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one?
2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 299.40 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(4-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2840254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).