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

C11H17ClF3N3O2S — CID 128986424

IUPAC3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride
SMILESCl.NC1CCC(C(F)(F)F)N(C(=O)CN2CSCC2=O)C1
InChIInChI=1S/C11H16F3N3O2S.ClH/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;1H
InChIKeyFNLUAKQYEFTYHR-UHFFFAOYSA-N
MW347.79 g/mol
LogP0.82
Rot. Bonds2

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

3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride (PubChem CID 128986424) has the molecular formula C11H17ClF3N3O2S and a molecular weight of 347.79 g/mol. Its IUPAC name is 3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride
PubChem CID128986424
Molecular FormulaC11H17ClF3N3O2S
Molecular Weight347.79 g/mol
Exact Mass347.07
IUPAC Name3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride
SMILESCl.NC1CCC(C(F)(F)F)N(C(=O)CN2CSCC2=O)C1
InChIInChI=1S/C11H16F3N3O2S.ClH/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;1H
InChIKeyFNLUAKQYEFTYHR-UHFFFAOYSA-N
XLogP0.82
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.79
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride with MolForge

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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-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61260157
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
Piperazin-1-yl-[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-2-yl]methanone
CID 116616916
1,3-Thiazolidin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119267648
1,3-Thiazolidin-4-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119280534

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;hydrochloride?
The IUPAC name of 3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride (CID 128986424) is 3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride.
What is the SMILES notation for 3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride?
The canonical SMILES for 3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride is Cl.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;hydrochloride?
The InChIKey is FNLUAKQYEFTYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2S.ClH/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;1H.
What are the key properties of 3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride?
3-[2-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;hydrochloride has a molecular weight of 347.79 g/mol, XLogP of 0.82, 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;hydrochloride is sourced from PubChem (CID 128986424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).