5-ethyl-2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one

C18H27N3OS — CID 24715488

IUPAC5-ethyl-2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESCCC1SC(c2ccccc2C)N(CCN2CCNCC2)C1=O
InChIInChI=1S/C18H27N3OS/c1-3-16-17(22)21(13-12-20-10-8-19-9-11-20)18(23-16)15-7-5-4-6-14(15)2/h4-7,16,18-19H,3,8-13H2,1-2H3
InChIKeyAFOYYPNTBDBADZ-UHFFFAOYSA-N
MW333.50 g/mol
LogP2.25
Rot. Bonds5

About 5-ethyl-2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one

5-ethyl-2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 24715488) has the molecular formula C18H27N3OS and a molecular weight of 333.50 g/mol. Its IUPAC name is 5-ethyl-2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
PubChem CID24715488
Molecular FormulaC18H27N3OS
Molecular Weight333.50 g/mol
Exact Mass333.19
IUPAC Name5-ethyl-2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESCCC1SC(c2ccccc2C)N(CCN2CCNCC2)C1=O
InChIInChI=1S/C18H27N3OS/c1-3-16-17(22)21(13-12-20-10-8-19-9-11-20)18(23-16)15-7-5-4-6-14(15)2/h4-7,16,18-19H,3,8-13H2,1-2H3
InChIKeyAFOYYPNTBDBADZ-UHFFFAOYSA-N
XLogP2.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 5-ethyl-2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one (CID 24715488) is 5-ethyl-2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-ethyl-2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one is CCC1SC(c2ccccc2C)N(CCN2CCNCC2)C1=O.
What is the InChIKey of 5-ethyl-2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is AFOYYPNTBDBADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OS/c1-3-16-17(22)21(13-12-20-10-8-19-9-11-20)18(23-16)15-7-5-4-6-14(15)2/h4-7,16,18-19H,3,8-13H2,1-2H3.
What are the key properties of 5-ethyl-2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one?
5-ethyl-2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 333.50 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-methylphenyl)-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 24715488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).