3-[2-(4-propanoylpiperazin-1-yl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one

C16H23N3O2S2 — CID 42815016

IUPAC3-[2-(4-propanoylpiperazin-1-yl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESCCC(=O)N1CCN(CCN2C(=O)CSC2c2cccs2)CC1
InChIInChI=1S/C16H23N3O2S2/c1-2-14(20)18-8-5-17(6-9-18)7-10-19-15(21)12-23-16(19)13-4-3-11-22-13/h3-4,11,16H,2,5-10,12H2,1H3
InChIKeyMGWRFKDLKKNYSG-UHFFFAOYSA-N
MW353.51 g/mol
LogP1.88
Rot. Bonds5

About 3-[2-(4-propanoylpiperazin-1-yl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one

3-[2-(4-propanoylpiperazin-1-yl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one (PubChem CID 42815016) has the molecular formula C16H23N3O2S2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 3-[2-(4-propanoylpiperazin-1-yl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-(4-propanoylpiperazin-1-yl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
PubChem CID42815016
Molecular FormulaC16H23N3O2S2
Molecular Weight353.51 g/mol
Exact Mass353.12
IUPAC Name3-[2-(4-propanoylpiperazin-1-yl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
SMILESCCC(=O)N1CCN(CCN2C(=O)CSC2c2cccs2)CC1
InChIInChI=1S/C16H23N3O2S2/c1-2-14(20)18-8-5-17(6-9-18)7-10-19-15(21)12-23-16(19)13-4-3-11-22-13/h3-4,11,16H,2,5-10,12H2,1H3
InChIKeyMGWRFKDLKKNYSG-UHFFFAOYSA-N
XLogP1.88
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-(4-propanoylpiperazin-1-yl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one with MolForge

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Related Compounds

3-(2-hydroxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3447830
(2S)-3-[3-[(2S)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]propyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 10093008
methyl 3-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)propanoate
CID 3873645
N-ethyl-2-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide
CID 42815196
3-(2-phenoxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 4657694
3-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 42814508
3-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3873599
(2S)-3-[2-[4-(2-chlorobenzoyl)piperazin-1-yl]ethyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 93289293
2-phenyl-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 3995232
3-[(2-fluorophenyl)methyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3741447
3-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 42815161
2-[2-(4-hexanoylpiperazin-1-yl)ethyliminomethyl]-3-hydroxy-5-thiophen-2-ylcyclohex-2-en-1-one
CID 135511461

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-propanoylpiperazin-1-yl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-(4-propanoylpiperazin-1-yl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one (CID 42815016) is 3-[2-(4-propanoylpiperazin-1-yl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-(4-propanoylpiperazin-1-yl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-(4-propanoylpiperazin-1-yl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one is CCC(=O)N1CCN(CCN2C(=O)CSC2c2cccs2)CC1.
What is the InChIKey of 3-[2-(4-propanoylpiperazin-1-yl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one?
The InChIKey is MGWRFKDLKKNYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S2/c1-2-14(20)18-8-5-17(6-9-18)7-10-19-15(21)12-23-16(19)13-4-3-11-22-13/h3-4,11,16H,2,5-10,12H2,1H3.
What are the key properties of 3-[2-(4-propanoylpiperazin-1-yl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one?
3-[2-(4-propanoylpiperazin-1-yl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one has a molecular weight of 353.51 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-propanoylpiperazin-1-yl)ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 42815016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).