2-(3-methoxyphenyl)-3,5-dimethyl-1,3-thiazolidin-4-one

C12H15NO2S — CID 46743693

IUPAC2-(3-methoxyphenyl)-3,5-dimethyl-1,3-thiazolidin-4-one
SMILESCOc1cccc(C2SC(C)C(=O)N2C)c1
InChIInChI=1S/C12H15NO2S/c1-8-11(14)13(2)12(16-8)9-5-4-6-10(7-9)15-3/h4-8,12H,1-3H3
InChIKeyCIMGNDBUESRXOC-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.29
Rot. Bonds2

About 2-(3-methoxyphenyl)-3,5-dimethyl-1,3-thiazolidin-4-one

2-(3-methoxyphenyl)-3,5-dimethyl-1,3-thiazolidin-4-one (PubChem CID 46743693) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3,5-dimethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3,5-dimethyl-1,3-thiazolidin-4-one
PubChem CID46743693
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name2-(3-methoxyphenyl)-3,5-dimethyl-1,3-thiazolidin-4-one
SMILESCOc1cccc(C2SC(C)C(=O)N2C)c1
InChIInChI=1S/C12H15NO2S/c1-8-11(14)13(2)12(16-8)9-5-4-6-10(7-9)15-3/h4-8,12H,1-3H3
InChIKeyCIMGNDBUESRXOC-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3,5-dimethyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-methoxyphenyl)-3,5-dimethyl-1,3-thiazolidin-4-one (CID 46743693) is 2-(3-methoxyphenyl)-3,5-dimethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-3,5-dimethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-methoxyphenyl)-3,5-dimethyl-1,3-thiazolidin-4-one is COc1cccc(C2SC(C)C(=O)N2C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3,5-dimethyl-1,3-thiazolidin-4-one?
The InChIKey is CIMGNDBUESRXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-8-11(14)13(2)12(16-8)9-5-4-6-10(7-9)15-3/h4-8,12H,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)-3,5-dimethyl-1,3-thiazolidin-4-one?
2-(3-methoxyphenyl)-3,5-dimethyl-1,3-thiazolidin-4-one has a molecular weight of 237.32 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3,5-dimethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 46743693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).