2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one

C12H15NO4S — CID 2839697

IUPAC2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2NC(=O)CS2)cc(OC)c1OC
InChIInChI=1S/C12H15NO4S/c1-15-8-4-7(12-13-10(14)6-18-12)5-9(16-2)11(8)17-3/h4-5,12H,6H2,1-3H3,(H,13,14)
InChIKeySRXJNBCCQFXHQD-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.57
Rot. Bonds4

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

2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 2839697) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID2839697
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1cc(C2NC(=O)CS2)cc(OC)c1OC
InChIInChI=1S/C12H15NO4S/c1-15-8-4-7(12-13-10(14)6-18-12)5-9(16-2)11(8)17-3/h4-5,12H,6H2,1-3H3,(H,13,14)
InChIKeySRXJNBCCQFXHQD-UHFFFAOYSA-N
XLogP1.57
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one (CID 2839697) is 2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is COc1cc(C2NC(=O)CS2)cc(OC)c1OC.
What is the InChIKey of 2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is SRXJNBCCQFXHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-15-8-4-7(12-13-10(14)6-18-12)5-9(16-2)11(8)17-3/h4-5,12H,6H2,1-3H3,(H,13,14).
What are the key properties of 2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one?
2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 269.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2839697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).