3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one

C11H16F3N3O2S — CID 128986425

IUPAC3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESNC1CCC(C(F)(F)F)N(C(=O)CN2CSCC2=O)C1
InChIInChI=1S/C11H16F3N3O2S/c12-11(13,14)8-2-1-7(15)3-17(8)9(18)4-16-6-20-5-10(16)19/h7-8H,1-6,15H2
InChIKeyHCCZSGFTNDYQBM-UHFFFAOYSA-N
MW311.33 g/mol
LogP0.40
Rot. Bonds2

About 3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one

3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (PubChem CID 128986425) has the molecular formula C11H16F3N3O2S and a molecular weight of 311.33 g/mol. Its IUPAC name is 3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
PubChem CID128986425
Molecular FormulaC11H16F3N3O2S
Molecular Weight311.33 g/mol
Exact Mass311.09
IUPAC Name3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESNC1CCC(C(F)(F)F)N(C(=O)CN2CSCC2=O)C1
InChIInChI=1S/C11H16F3N3O2S/c12-11(13,14)8-2-1-7(15)3-17(8)9(18)4-16-6-20-5-10(16)19/h7-8H,1-6,15H2
InChIKeyHCCZSGFTNDYQBM-UHFFFAOYSA-N
XLogP0.40
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclohexyl-2-(2,4-dioxo-thiazolidin-3-yl)-acetamide
CID 653300
N-methyl-2-[4-[[2-(trifluoromethylsulfanyl)acetyl]amino]piperidin-1-yl]acetamide
CID 38441371
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 45796543
1,3-Thiazolidin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 54936762
1,3-Thiazolidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61260157
1,3-Thiazolidin-4-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 65537799
2-(4-aminopiperidin-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
CID 103809155
1-piperidin-4-yl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidine-2-carboxamide
CID 106428202
1-Piperidin-1-yl-2-[2-(trifluoromethylsulfanyl)ethylamino]propan-1-one
CID 113543888
4-(Thiolan-2-yl)-5-(trifluoromethyl)piperazin-2-one
CID 115101401
4-(Thiolan-2-ylmethyl)-5-(trifluoromethyl)piperazin-2-one
CID 115101415
4-(Thian-2-ylmethyl)-5-(trifluoromethyl)piperazin-2-one
CID 115101422

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (CID 128986425) is 3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is NC1CCC(C(F)(F)F)N(C(=O)CN2CSCC2=O)C1.
What is the InChIKey of 3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The InChIKey is HCCZSGFTNDYQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S/c12-11(13,14)8-2-1-7(15)3-17(8)9(18)4-16-6-20-5-10(16)19/h7-8H,1-6,15H2.
What are the key properties of 3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one has a molecular weight of 311.33 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 128986425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).