2-(dimethoxymethyl)-3-ethyl-1,3-thiazolidin-4-one

C8H15NO3S — CID 3614097

IUPAC2-(dimethoxymethyl)-3-ethyl-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CSC1C(OC)OC
InChIInChI=1S/C8H15NO3S/c1-4-9-6(10)5-13-7(9)8(11-2)12-3/h7-8H,4-5H2,1-3H3
InChIKeyOLRJITSFRCMJDW-UHFFFAOYSA-N
MW205.28 g/mol
LogP0.53
Rot. Bonds4

About 2-(dimethoxymethyl)-3-ethyl-1,3-thiazolidin-4-one

2-(dimethoxymethyl)-3-ethyl-1,3-thiazolidin-4-one (PubChem CID 3614097) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is 2-(dimethoxymethyl)-3-ethyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(dimethoxymethyl)-3-ethyl-1,3-thiazolidin-4-one
PubChem CID3614097
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name2-(dimethoxymethyl)-3-ethyl-1,3-thiazolidin-4-one
SMILESCCN1C(=O)CSC1C(OC)OC
InChIInChI=1S/C8H15NO3S/c1-4-9-6(10)5-13-7(9)8(11-2)12-3/h7-8H,4-5H2,1-3H3
InChIKeyOLRJITSFRCMJDW-UHFFFAOYSA-N
XLogP0.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethoxymethyl)-3-ethyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(dimethoxymethyl)-3-ethyl-1,3-thiazolidin-4-one (CID 3614097) is 2-(dimethoxymethyl)-3-ethyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(dimethoxymethyl)-3-ethyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(dimethoxymethyl)-3-ethyl-1,3-thiazolidin-4-one is CCN1C(=O)CSC1C(OC)OC.
What is the InChIKey of 2-(dimethoxymethyl)-3-ethyl-1,3-thiazolidin-4-one?
The InChIKey is OLRJITSFRCMJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3S/c1-4-9-6(10)5-13-7(9)8(11-2)12-3/h7-8H,4-5H2,1-3H3.
What are the key properties of 2-(dimethoxymethyl)-3-ethyl-1,3-thiazolidin-4-one?
2-(dimethoxymethyl)-3-ethyl-1,3-thiazolidin-4-one has a molecular weight of 205.28 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethoxymethyl)-3-ethyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3614097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).