2-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

C12H19F3N4O2S — CID 120812587

IUPAC2-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESO=C(CN1CCSC1=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H19F3N4O2S/c13-12(14,15)9(18-3-1-16-2-4-18)7-17-10(20)8-19-5-6-22-11(19)21/h9,16H,1-8H2,(H,17,20)
InChIKeyFXNVJBDDADNIJD-UHFFFAOYSA-N
MW340.37 g/mol
LogP0.11
Rot. Bonds5

About 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

2-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (PubChem CID 120812587) has the molecular formula C12H19F3N4O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
PubChem CID120812587
Molecular FormulaC12H19F3N4O2S
Molecular Weight340.37 g/mol
Exact Mass340.12
IUPAC Name2-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESO=C(CN1CCSC1=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H19F3N4O2S/c13-12(14,15)9(18-3-1-16-2-4-18)7-17-10(20)8-19-5-6-22-11(19)21/h9,16H,1-8H2,(H,17,20)
InChIKeyFXNVJBDDADNIJD-UHFFFAOYSA-N
XLogP0.11
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811989
2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120811988
2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811087
2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811531
2-(4-chlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811781
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811155
3-methylsulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120813821
3,3-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pentanamide
CID 120813243
2-methylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812954
2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812420
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120813431
2-[3-(trifluoromethyl)pyrazol-1-yl]-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810872

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (CID 120812587) is 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is O=C(CN1CCSC1=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The InChIKey is FXNVJBDDADNIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O2S/c13-12(14,15)9(18-3-1-16-2-4-18)7-17-10(20)8-19-5-6-22-11(19)21/h9,16H,1-8H2,(H,17,20).
What are the key properties of 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
2-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide has a molecular weight of 340.37 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 120812587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).