2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one

C17H25NO4S — CID 122330561

IUPAC2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESCOc1cc(OC)c(C2SCCN2C(=O)C(C)(C)C)cc1OC
InChIInChI=1S/C17H25NO4S/c1-17(2,3)16(19)18-7-8-23-15(18)11-9-13(21-5)14(22-6)10-12(11)20-4/h9-10,15H,7-8H2,1-6H3
InChIKeyIZPKOSUPBDFPOB-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.33
Rot. Bonds4

About 2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one

2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 122330561) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID122330561
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Name2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESCOc1cc(OC)c(C2SCCN2C(=O)C(C)(C)C)cc1OC
InChIInChI=1S/C17H25NO4S/c1-17(2,3)16(19)18-7-8-23-15(18)11-9-13(21-5)14(22-6)10-12(11)20-4/h9-10,15H,7-8H2,1-6H3
InChIKeyIZPKOSUPBDFPOB-UHFFFAOYSA-N
XLogP3.33
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one (CID 122330561) is 2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one is COc1cc(OC)c(C2SCCN2C(=O)C(C)(C)C)cc1OC.
What is the InChIKey of 2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is IZPKOSUPBDFPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-17(2,3)16(19)18-7-8-23-15(18)11-9-13(21-5)14(22-6)10-12(11)20-4/h9-10,15H,7-8H2,1-6H3.
What are the key properties of 2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 339.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 122330561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).