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

C16H23NO4S — CID 3388078

IUPAC2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
SMILESCCOCCCN1C(=O)CSC1c1cccc(OC)c1OC
InChIInChI=1S/C16H23NO4S/c1-4-21-10-6-9-17-14(18)11-22-16(17)12-7-5-8-13(19-2)15(12)20-3/h5,7-8,16H,4,6,9-11H2,1-3H3
InChIKeyBVZLUOTUDWMPIM-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.70
Rot. Bonds8

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

2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one (PubChem CID 3388078) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
PubChem CID3388078
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC Name2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
SMILESCCOCCCN1C(=O)CSC1c1cccc(OC)c1OC
InChIInChI=1S/C16H23NO4S/c1-4-21-10-6-9-17-14(18)11-22-16(17)12-7-5-8-13(19-2)15(12)20-3/h5,7-8,16H,4,6,9-11H2,1-3H3
InChIKeyBVZLUOTUDWMPIM-UHFFFAOYSA-N
XLogP2.70
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3853448
2-(4-methoxynaphthalen-1-yl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3684458
2-(2,3-dimethoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3856405
2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3855111
2-(4-methoxynaphthalen-1-yl)-3-propyl-1,3-thiazolidin-4-one
CID 3824403
2-(2,3-dimethoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3857422
3-(cyclopropylmethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3856690
3-(3-propoxypropyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3852808
3-(2-ethylsulfanylethyl)-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3872207
3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3871093
2-(2,3-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 21103352
3-[2-(4-methoxyphenoxy)ethyl]-2-(2,3,4-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3814721

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one (CID 3388078) is 2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one is CCOCCCN1C(=O)CSC1c1cccc(OC)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one?
The InChIKey is BVZLUOTUDWMPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-4-21-10-6-9-17-14(18)11-22-16(17)12-7-5-8-13(19-2)15(12)20-3/h5,7-8,16H,4,6,9-11H2,1-3H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one?
2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one has a molecular weight of 325.43 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3388078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).