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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Related Compounds

2-(dimethoxymethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 5150741
2-(dimethoxymethyl)-3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 3682766
2-(3-azabicyclo[4.1.0]hepta-2,4-dien-2-yl)-2-(3-ethyl-4-oxo-1,3-thiazolidin-2-yl)acetonitrile
CID 143270964
3-ethyl-2-(furan-2-yl)-1,3-thiazolidin-4-one
CID 3800198
3-(5-hydroxy-4,4-dimethylpentyl)-2-pentan-3-yl-1,3-thiazolidin-4-one
CID 3832794
3-(2-methylpropyl)-2-(1-phenylethyl)-1,3-thiazolidin-4-one
CID 5195728
methyl 7-[2-[(1S)-1-acetyloxyoctyl]-4-oxo-1,3-thiazolidin-3-yl]heptanoate
CID 88833645
2-(2,6-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3853448
3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3304214
(2S)-2-[1-(2-bromophenyl)pyrrol-3-yl]-3-ethyl-1,3-thiazolidin-4-one
CID 99964990
3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one
CID 3670137
1,3-diethyl-4,5-dimethoxyimidazolidin-2-one
CID 143815400

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).