3-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-thiazolidin-4-one

C23H25NO5S — CID 3820605

IUPAC3-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2Cc2ccc3c(c2)OCO3)cc1OC1CCCC1
InChIInChI=1S/C23H25NO5S/c1-26-18-9-7-16(11-21(18)29-17-4-2-3-5-17)23-24(22(25)13-30-23)12-15-6-8-19-20(10-15)28-14-27-19/h6-11,17,23H,2-5,12-14H2,1H3
InChIKeyUNLPAABVIJSJFK-UHFFFAOYSA-N
MW427.52 g/mol
LogP4.52
Rot. Bonds6

About 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-thiazolidin-4-one

3-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3820605) has the molecular formula C23H25NO5S and a molecular weight of 427.52 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3820605
Molecular FormulaC23H25NO5S
Molecular Weight427.52 g/mol
Exact Mass427.15
IUPAC Name3-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2Cc2ccc3c(c2)OCO3)cc1OC1CCCC1
InChIInChI=1S/C23H25NO5S/c1-26-18-9-7-16(11-21(18)29-17-4-2-3-5-17)23-24(22(25)13-30-23)12-15-6-8-19-20(10-15)28-14-27-19/h6-11,17,23H,2-5,12-14H2,1H3
InChIKeyUNLPAABVIJSJFK-UHFFFAOYSA-N
XLogP4.52
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)-1,3-thiazolidin-4-one
CID 3840747
2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-propan-2-yloxypropyl)-1,3-thiazolidin-4-one
CID 3284685
3-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 3769250
(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 7107838
3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-4-one
CID 3804922
3-(1,3-benzodioxol-5-ylmethyl)-2-(furan-2-yl)-1,3-thiazolidin-4-one
CID 3860765
2-(3-ethoxy-4-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
CID 3820114
3-(1,3-benzodioxol-5-ylmethyl)-2-(2-chlorophenyl)-1,3-thiazolidin-4-one
CID 3862621
3-[(2,6-difluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3388079
(2R)-3-benzyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidin-4-one
CID 680812
(2S)-2-(3,4-dimethoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one
CID 6960848
3-[(3,4-dimethoxyphenyl)methyl]-2-(3-ethoxyphenyl)-1,3-thiazolidin-4-one
CID 4995225

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 3820605) is 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(C2SCC(=O)N2Cc2ccc3c(c2)OCO3)cc1OC1CCCC1.
What is the InChIKey of 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is UNLPAABVIJSJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5S/c1-26-18-9-7-16(11-21(18)29-17-4-2-3-5-17)23-24(22(25)13-30-23)12-15-6-8-19-20(10-15)28-14-27-19/h6-11,17,23H,2-5,12-14H2,1H3.
What are the key properties of 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-thiazolidin-4-one?
3-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 427.52 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3820605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).