ethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate

C16H21NO5S — CID 3290194

IUPACethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
SMILESCCOC(=O)CCN1C(=O)CSC1c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H21NO5S/c1-4-22-15(19)5-6-17-14(18)10-23-16(17)11-7-12(20-2)9-13(8-11)21-3/h7-9,16H,4-6,10H2,1-3H3
InChIKeyTWJKXJGCTQDVLB-UHFFFAOYSA-N
MW339.41 g/mol
LogP2.23
Rot. Bonds7

About ethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate

ethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate (PubChem CID 3290194) has the molecular formula C16H21NO5S and a molecular weight of 339.41 g/mol. Its IUPAC name is ethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
PubChem CID3290194
Molecular FormulaC16H21NO5S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC Nameethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
SMILESCCOC(=O)CCN1C(=O)CSC1c1cc(OC)cc(OC)c1
InChIInChI=1S/C16H21NO5S/c1-4-22-15(19)5-6-17-14(18)10-23-16(17)11-7-12(20-2)9-13(8-11)21-3/h7-9,16H,4-6,10H2,1-3H3
InChIKeyTWJKXJGCTQDVLB-UHFFFAOYSA-N
XLogP2.23
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(Dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one hydrochloride
CID 2861396
3-Benzyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 396391
5-Methyl-3-(2-phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 2840150
Ethyl 2-[4-oxo-2-(3-phenoxyphenyl)thiazolidin-3-yl]propanoate
CID 508439
1-(3,5-Dimethoxybenzyl)-4-(methoxymethyl)-N~3~,N~3~-dimethyl-3-pyrrolidinecarboxamide
CID 110203568
3-Benzyl-5-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 2840042
3-(2-Phenylethyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 2840926
2-(3-Methoxyphenyl)-3,5-dimethyl-1,3-thiazolidin-4-one
CID 46743693
3-[3-(Dimethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 2861397
2-(3,5-Dimethoxyphenyl)-3-[(3-fluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 3287644
3-(3-Propoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3343235
3-(3-Butoxypropyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3609856

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate?
The IUPAC name of ethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate (CID 3290194) is ethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate is CCOC(=O)CCN1C(=O)CSC1c1cc(OC)cc(OC)c1.
What is the InChIKey of ethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate?
The InChIKey is TWJKXJGCTQDVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5S/c1-4-22-15(19)5-6-17-14(18)10-23-16(17)11-7-12(20-2)9-13(8-11)21-3/h7-9,16H,4-6,10H2,1-3H3.
What are the key properties of ethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate?
ethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate has a molecular weight of 339.41 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate is sourced from PubChem (CID 3290194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).