3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one

C17H25NO3S — CID 3792966

IUPAC3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCCCOCCCN1C(=O)CSC1c1cccc(OC)c1
InChIInChI=1S/C17H25NO3S/c1-3-4-10-21-11-6-9-18-16(19)13-22-17(18)14-7-5-8-15(12-14)20-2/h5,7-8,12,17H,3-4,6,9-11,13H2,1-2H3
InChIKeyYBNOEKYOBJSBFV-UHFFFAOYSA-N
MW323.46 g/mol
LogP3.48
Rot. Bonds9

About 3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one

3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3792966) has the molecular formula C17H25NO3S and a molecular weight of 323.46 g/mol. Its IUPAC name is 3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3792966
Molecular FormulaC17H25NO3S
Molecular Weight323.46 g/mol
Exact Mass323.16
IUPAC Name3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCCCCOCCCN1C(=O)CSC1c1cccc(OC)c1
InChIInChI=1S/C17H25NO3S/c1-3-4-10-21-11-6-9-18-16(19)13-22-17(18)14-7-5-8-15(12-14)20-2/h5,7-8,12,17H,3-4,6,9-11,13H2,1-2H3
InChIKeyYBNOEKYOBJSBFV-UHFFFAOYSA-N
XLogP3.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethoxyphenyl)-3-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazolidin-4-one
CID 3796046
3-(3-propoxypropyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3852808
2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3871494
3-[(2,3-difluorophenyl)methyl]-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3840878
2-(2,6-dimethoxyphenyl)-3-(3-ethoxypropyl)-1,3-thiazolidin-4-one
CID 3853448
2-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-propoxypropyl)-1,3-thiazolidin-4-one
CID 3697497
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-(3-butoxypropyl)-2-(2-prop-2-enoxyphenyl)-1,3-thiazolidin-4-one
CID 4679956
2-(2,6-dimethoxyphenyl)-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
CID 3855111
3-ethyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
CID 3304214
3-(2-ethoxyethyl)-2-phenyl-1,3-thiazolidin-4-one
CID 3863407

Frequently Asked Questions

What is the IUPAC name of 3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one (CID 3792966) is 3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one is CCCCOCCCN1C(=O)CSC1c1cccc(OC)c1.
What is the InChIKey of 3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is YBNOEKYOBJSBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3S/c1-3-4-10-21-11-6-9-18-16(19)13-22-17(18)14-7-5-8-15(12-14)20-2/h5,7-8,12,17H,3-4,6,9-11,13H2,1-2H3.
What are the key properties of 3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one?
3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 323.46 g/mol, XLogP of 3.48, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butoxypropyl)-2-(3-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3792966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).