2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-propan-2-yloxypropyl)-1,3-thiazolidin-4-one

C21H31NO4S — CID 3284685

IUPAC2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-propan-2-yloxypropyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2CCCOC(C)C)cc1OC1CCCC1
InChIInChI=1S/C21H31NO4S/c1-15(2)25-12-6-11-22-20(23)14-27-21(22)16-9-10-18(24-3)19(13-16)26-17-7-4-5-8-17/h9-10,13,15,17,21H,4-8,11-12,14H2,1-3H3
InChIKeyYGNCEFITXRABCI-UHFFFAOYSA-N
MW393.55 g/mol
LogP4.41
Rot. Bonds9

About 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-propan-2-yloxypropyl)-1,3-thiazolidin-4-one

2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-propan-2-yloxypropyl)-1,3-thiazolidin-4-one (PubChem CID 3284685) has the molecular formula C21H31NO4S and a molecular weight of 393.55 g/mol. Its IUPAC name is 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-propan-2-yloxypropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-propan-2-yloxypropyl)-1,3-thiazolidin-4-one
PubChem CID3284685
Molecular FormulaC21H31NO4S
Molecular Weight393.55 g/mol
Exact Mass393.20
IUPAC Name2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-propan-2-yloxypropyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2CCCOC(C)C)cc1OC1CCCC1
InChIInChI=1S/C21H31NO4S/c1-15(2)25-12-6-11-22-20(23)14-27-21(22)16-9-10-18(24-3)19(13-16)26-17-7-4-5-8-17/h9-10,13,15,17,21H,4-8,11-12,14H2,1-3H3
InChIKeyYGNCEFITXRABCI-UHFFFAOYSA-N
XLogP4.41
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 54.41
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

3-(1,3-benzodioxol-5-ylmethyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3820605
2-(3,4-dimethoxyphenyl)-3-(2-ethoxyethyl)-1,3-thiazolidin-4-one
CID 3817985
(2S)-2-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 7107838
2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(3-propan-2-yloxypropyl)-1,3-thiazinan-4-one
CID 3717364
3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanenitrile
CID 3859836
(2S)-2-(3,4-dimethoxyphenyl)-3-(2-piperidin-1-ium-1-ylethyl)-1,3-thiazolidin-4-one
CID 6960848
3-(3-propoxypropyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 3852808
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
2-(3-ethoxy-4-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]-1,3-thiazolidin-4-one
CID 3410937
2-(3-ethoxy-4-methoxyphenyl)-3-(2-ethylsulfanylethyl)-1,3-thiazolidin-4-one
CID 3807342
3-[2-(diethylamino)ethyl]-2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 23854988
3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one
CID 3670137

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-propan-2-yloxypropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-propan-2-yloxypropyl)-1,3-thiazolidin-4-one (CID 3284685) is 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-propan-2-yloxypropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-propan-2-yloxypropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-propan-2-yloxypropyl)-1,3-thiazolidin-4-one is COc1ccc(C2SCC(=O)N2CCCOC(C)C)cc1OC1CCCC1.
What is the InChIKey of 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-propan-2-yloxypropyl)-1,3-thiazolidin-4-one?
The InChIKey is YGNCEFITXRABCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO4S/c1-15(2)25-12-6-11-22-20(23)14-27-21(22)16-9-10-18(24-3)19(13-16)26-17-7-4-5-8-17/h9-10,13,15,17,21H,4-8,11-12,14H2,1-3H3.
What are the key properties of 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-propan-2-yloxypropyl)-1,3-thiazolidin-4-one?
2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-propan-2-yloxypropyl)-1,3-thiazolidin-4-one has a molecular weight of 393.55 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-propan-2-yloxypropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3284685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).