2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one

C11H13NO3S — CID 2998642

IUPAC2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2NC(=O)CS2)cc1OC
InChIInChI=1S/C11H13NO3S/c1-14-8-4-3-7(5-9(8)15-2)11-12-10(13)6-16-11/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKeyDKHGYGOTSRVLMZ-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.57
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one

2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 2998642) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID2998642
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2NC(=O)CS2)cc1OC
InChIInChI=1S/C11H13NO3S/c1-14-8-4-3-7(5-9(8)15-2)11-12-10(13)6-16-11/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKeyDKHGYGOTSRVLMZ-UHFFFAOYSA-N
XLogP1.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one (CID 2998642) is 2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(C2NC(=O)CS2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is DKHGYGOTSRVLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-14-8-4-3-7(5-9(8)15-2)11-12-10(13)6-16-11/h3-5,11H,6H2,1-2H3,(H,12,13).
What are the key properties of 2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one?
2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 239.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2998642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).