3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium

C16H25N2O3S+ — CID 7260789

IUPAC3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
SMILESCOc1ccc([C@H]2SCC(=O)N2CCC[NH+](C)C)c(OC)c1
InChIInChI=1S/C16H24N2O3S/c1-17(2)8-5-9-18-15(19)11-22-16(18)13-7-6-12(20-3)10-14(13)21-4/h6-7,10,16H,5,8-9,11H2,1-4H3/p+1/t16-/m1/s1
InChIKeyZNBVRSHMULUPAJ-MRXNPFEDSA-O
MW325.45 g/mol
LogP0.81
Rot. Bonds7

About 3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium

3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium (PubChem CID 7260789) has the molecular formula C16H25N2O3S+ and a molecular weight of 325.45 g/mol. Its IUPAC name is 3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
PubChem CID7260789
Molecular FormulaC16H25N2O3S+
Molecular Weight325.45 g/mol
Exact Mass325.16
IUPAC Name3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
SMILESCOc1ccc([C@H]2SCC(=O)N2CCC[NH+](C)C)c(OC)c1
InChIInChI=1S/C16H24N2O3S/c1-17(2)8-5-9-18-15(19)11-22-16(18)13-7-6-12(20-3)10-14(13)21-4/h6-7,10,16H,5,8-9,11H2,1-4H3/p+1/t16-/m1/s1
InChIKeyZNBVRSHMULUPAJ-MRXNPFEDSA-O
XLogP0.81
TPSA43.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium with MolForge

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Related Compounds

2-(2,4-dimethoxyphenyl)-3-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 3866950
2-(2,4-dimethoxyphenyl)-3-[2-(2-hydroxyethylsulfanyl)ethyl]-1,3-thiazolidin-4-one
CID 3857798
2-(2,4-dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 4669256
2-(2,5-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)-1,3-thiazolidin-4-one
CID 3597487
2-(2,4-dimethoxyphenyl)-3-[[4-(dimethylamino)phenyl]methyl]-1,3-thiazolidin-4-one
CID 3594994
2-(2,5-dimethoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 4686423
2-(2,5-dimethoxyphenyl)-3-(3-piperidin-1-ylpropyl)-1,3-thiazolidin-4-one
CID 23851729
3-(3-methylsulfanylpropyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3556568
3-[(2R)-2-(4-bromophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 6936526
3-[3-(dimethylamino)propyl]-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3474517
3-[(2R)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 6936520
3-[(2S)-2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium
CID 6936521

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium?
The IUPAC name of 3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium (CID 7260789) is 3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium.
What is the SMILES notation for 3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium?
The canonical SMILES for 3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium is COc1ccc([C@H]2SCC(=O)N2CCC[NH+](C)C)c(OC)c1.
What is the InChIKey of 3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium?
The InChIKey is ZNBVRSHMULUPAJ-MRXNPFEDSA-O. The full InChI is InChI=1S/C16H24N2O3S/c1-17(2)8-5-9-18-15(19)11-22-16(18)13-7-6-12(20-3)10-14(13)21-4/h6-7,10,16H,5,8-9,11H2,1-4H3/p+1/t16-/m1/s1.
What are the key properties of 3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium?
3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium has a molecular weight of 325.45 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl-dimethylazanium is sourced from PubChem (CID 7260789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).