3-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C16H20N2O5S — CID 122345737

IUPAC3-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2SCCN2C(=O)CN2CCOC2=O)cc1OC
InChIInChI=1S/C16H20N2O5S/c1-21-12-4-3-11(9-13(12)22-2)15-18(6-8-24-15)14(19)10-17-5-7-23-16(17)20/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyXVNRUDOENRNZOK-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.73
Rot. Bonds5

About 3-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 122345737) has the molecular formula C16H20N2O5S and a molecular weight of 352.41 g/mol. Its IUPAC name is 3-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID122345737
Molecular FormulaC16H20N2O5S
Molecular Weight352.41 g/mol
Exact Mass352.11
IUPAC Name3-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2SCCN2C(=O)CN2CCOC2=O)cc1OC
InChIInChI=1S/C16H20N2O5S/c1-21-12-4-3-11(9-13(12)22-2)15-18(6-8-24-15)14(19)10-17-5-7-23-16(17)20/h3-4,9,15H,5-8,10H2,1-2H3
InChIKeyXVNRUDOENRNZOK-UHFFFAOYSA-N
XLogP1.73
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 2860044
3-[(3,4-Dimethoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 237195
(4R)-2-(3,4-dimethoxyphenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide
CID 11284354
(4R)-2-(3,4-dimethoxyphenyl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide
CID 23627596
(4R)-2-(1,3-benzodioxol-5-yl)-N-tetradecyl-1,3-thiazolidine-4-carboxamide
CID 24997093
(4R)-2-(3,4-dimethoxyphenyl)-N-hexadecyl-1,3-thiazolidine-4-carboxamide
CID 44433135
1-[2-(4-Methoxyphenyl)-4-[oxo(1-pyrrolidinyl)methyl]-3-thiazolidinyl]-1-propanone
CID 4057143
3-Acetyl-2-(3,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 5309548
ethyl (2Z)-2-[3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
CID 5784796
(4S)-2-(3,4-dimethoxyphenyl)-N-octadecyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 45265775
(4R)-2-(3,4-dimethoxyphenyl)-N-[(Z)-octadec-8-enyl]-1,3-thiazolidine-4-carboxamide
CID 46231636
(4R)-2-(3,4-dimethoxyphenyl)-N-[(E)-octadec-8-enyl]-1,3-thiazolidine-4-carboxamide
CID 46231637

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 122345737) is 3-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is COc1ccc(C2SCCN2C(=O)CN2CCOC2=O)cc1OC.
What is the InChIKey of 3-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is XVNRUDOENRNZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S/c1-21-12-4-3-11(9-13(12)22-2)15-18(6-8-24-15)14(19)10-17-5-7-23-16(17)20/h3-4,9,15H,5-8,10H2,1-2H3.
What are the key properties of 3-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 352.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 122345737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).