1,3-thiazolidin-4-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

C13H22F3N3O2S — CID 119305244

IUPAC1,3-thiazolidin-4-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
SMILESO=C(C1CSCN1)N1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H22F3N3O2S/c14-13(15,16)9-21-7-1-2-18-3-5-19(6-4-18)12(20)11-8-22-10-17-11/h11,17H,1-10H2
InChIKeyUKKMSEYBMXIZSO-UHFFFAOYSA-N
MW341.40 g/mol
LogP0.76
Rot. Bonds6

About 1,3-thiazolidin-4-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

1,3-thiazolidin-4-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone (PubChem CID 119305244) has the molecular formula C13H22F3N3O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 1,3-thiazolidin-4-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,3-thiazolidin-4-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
PubChem CID119305244
Molecular FormulaC13H22F3N3O2S
Molecular Weight341.40 g/mol
Exact Mass341.14
IUPAC Name1,3-thiazolidin-4-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone
SMILESO=C(C1CSCN1)N1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H22F3N3O2S/c14-13(15,16)9-21-7-1-2-18-3-5-19(6-4-18)12(20)11-8-22-10-17-11/h11,17H,1-10H2
InChIKeyUKKMSEYBMXIZSO-UHFFFAOYSA-N
XLogP0.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazolidin-4-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone?
The IUPAC name of 1,3-thiazolidin-4-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone (CID 119305244) is 1,3-thiazolidin-4-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1,3-thiazolidin-4-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone?
The canonical SMILES for 1,3-thiazolidin-4-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone is O=C(C1CSCN1)N1CCN(CCCOCC(F)(F)F)CC1.
What is the InChIKey of 1,3-thiazolidin-4-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone?
The InChIKey is UKKMSEYBMXIZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O2S/c14-13(15,16)9-21-7-1-2-18-3-5-19(6-4-18)12(20)11-8-22-10-17-11/h11,17H,1-10H2.
What are the key properties of 1,3-thiazolidin-4-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone?
1,3-thiazolidin-4-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone has a molecular weight of 341.40 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazolidin-4-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 119305244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).