N-(1,3-thiazol-2-yl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propanamide

C15H23F3N4O2S — CID 71883471

IUPACN-(1,3-thiazol-2-yl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1nccs1)N1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N4O2S/c1-12(13(23)20-14-19-3-10-25-14)22-7-5-21(6-8-22)4-2-9-24-11-15(16,17)18/h3,10,12H,2,4-9,11H2,1H3,(H,19,20,23)
InChIKeyJIPBUJGVYXMDLA-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.06
Rot. Bonds8

About N-(1,3-thiazol-2-yl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propanamide

N-(1,3-thiazol-2-yl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propanamide (PubChem CID 71883471) has the molecular formula C15H23F3N4O2S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propanamide
PubChem CID71883471
Molecular FormulaC15H23F3N4O2S
Molecular Weight380.44 g/mol
Exact Mass380.15
IUPAC NameN-(1,3-thiazol-2-yl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1nccs1)N1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N4O2S/c1-12(13(23)20-14-19-3-10-25-14)22-7-5-21(6-8-22)4-2-9-24-11-15(16,17)18/h3,10,12H,2,4-9,11H2,1H3,(H,19,20,23)
InChIKeyJIPBUJGVYXMDLA-UHFFFAOYSA-N
XLogP2.06
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-(1,3-thiazol-2-yl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propanamide (CID 71883471) is N-(1,3-thiazol-2-yl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propanamide is CC(C(=O)Nc1nccs1)N1CCN(CCCOCC(F)(F)F)CC1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propanamide?
The InChIKey is JIPBUJGVYXMDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O2S/c1-12(13(23)20-14-19-3-10-25-14)22-7-5-21(6-8-22)4-2-9-24-11-15(16,17)18/h3,10,12H,2,4-9,11H2,1H3,(H,19,20,23).
What are the key properties of N-(1,3-thiazol-2-yl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propanamide?
N-(1,3-thiazol-2-yl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propanamide has a molecular weight of 380.44 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 71883471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).