2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one

C15H21NO4S — CID 3855111

IUPAC2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
SMILESCOCCCN1C(=O)CSC1c1c(OC)cccc1OC
InChIInChI=1S/C15H21NO4S/c1-18-9-5-8-16-13(17)10-21-15(16)14-11(19-2)6-4-7-12(14)20-3/h4,6-7,15H,5,8-10H2,1-3H3
InChIKeyVKUAAFKHQMTMRY-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.31
Rot. Bonds7

About 2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one

2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one (PubChem CID 3855111) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
PubChem CID3855111
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
SMILESCOCCCN1C(=O)CSC1c1c(OC)cccc1OC
InChIInChI=1S/C15H21NO4S/c1-18-9-5-8-16-13(17)10-21-15(16)14-11(19-2)6-4-7-12(14)20-3/h4,6-7,15H,5,8-10H2,1-3H3
InChIKeyVKUAAFKHQMTMRY-UHFFFAOYSA-N
XLogP2.31
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.31
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
3-(3-methoxypropyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
CID 3849809
3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one
CID 3670137
2-(2,3-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3388078
3-[(2,5-difluorophenyl)methyl]-2-(2,6-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3842250
2-(2,5-dimethoxyphenyl)-3-(2-methoxyethyl)-1,3-thiazolidin-4-one
CID 4686423
3-(2-ethoxyethyl)-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3846130
2-(2,6-dimethoxyphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidin-4-one
CID 87152821
3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3871093
2-(2,6-dimethoxyphenyl)-3-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 87151052
3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3792966

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one (CID 3855111) is 2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one is COCCCN1C(=O)CSC1c1c(OC)cccc1OC.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one?
The InChIKey is VKUAAFKHQMTMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-18-9-5-8-16-13(17)10-21-15(16)14-11(19-2)6-4-7-12(14)20-3/h4,6-7,15H,5,8-10H2,1-3H3.
What are the key properties of 2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one?
2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one has a molecular weight of 311.40 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3855111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).