5-ethyl-2-(2-methylphenyl)-3-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one

C21H33N3O3S2 — CID 42814880

IUPAC5-ethyl-2-(2-methylphenyl)-3-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one
SMILESCCCS(=O)(=O)N1CCN(CCN2C(=O)C(CC)SC2c2ccccc2C)CC1
InChIInChI=1S/C21H33N3O3S2/c1-4-16-29(26,27)23-13-10-22(11-14-23)12-15-24-20(25)19(5-2)28-21(24)18-9-7-6-8-17(18)3/h6-9,19,21H,4-5,10-16H2,1-3H3
InChIKeyDXCGZROYSCNPBI-UHFFFAOYSA-N
MW439.65 g/mol
LogP2.71
Rot. Bonds8

About 5-ethyl-2-(2-methylphenyl)-3-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one

5-ethyl-2-(2-methylphenyl)-3-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one (PubChem CID 42814880) has the molecular formula C21H33N3O3S2 and a molecular weight of 439.65 g/mol. Its IUPAC name is 5-ethyl-2-(2-methylphenyl)-3-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(2-methylphenyl)-3-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one
PubChem CID42814880
Molecular FormulaC21H33N3O3S2
Molecular Weight439.65 g/mol
Exact Mass439.20
IUPAC Name5-ethyl-2-(2-methylphenyl)-3-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one
SMILESCCCS(=O)(=O)N1CCN(CCN2C(=O)C(CC)SC2c2ccccc2C)CC1
InChIInChI=1S/C21H33N3O3S2/c1-4-16-29(26,27)23-13-10-22(11-14-23)12-15-24-20(25)19(5-2)28-21(24)18-9-7-6-8-17(18)3/h6-9,19,21H,4-5,10-16H2,1-3H3
InChIKeyDXCGZROYSCNPBI-UHFFFAOYSA-N
XLogP2.71
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.65
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-methylphenyl)-3-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 5-ethyl-2-(2-methylphenyl)-3-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one (CID 42814880) is 5-ethyl-2-(2-methylphenyl)-3-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-(2-methylphenyl)-3-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-ethyl-2-(2-methylphenyl)-3-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one is CCCS(=O)(=O)N1CCN(CCN2C(=O)C(CC)SC2c2ccccc2C)CC1.
What is the InChIKey of 5-ethyl-2-(2-methylphenyl)-3-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one?
The InChIKey is DXCGZROYSCNPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S2/c1-4-16-29(26,27)23-13-10-22(11-14-23)12-15-24-20(25)19(5-2)28-21(24)18-9-7-6-8-17(18)3/h6-9,19,21H,4-5,10-16H2,1-3H3.
What are the key properties of 5-ethyl-2-(2-methylphenyl)-3-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one?
5-ethyl-2-(2-methylphenyl)-3-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one has a molecular weight of 439.65 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-methylphenyl)-3-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 42814880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).