3-propoxy-1-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one

C14H20F3N3O2S — CID 175827574

IUPAC3-propoxy-1-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
SMILESCCCOCCC(=O)N1CCN(c2ncc(C(F)(F)F)s2)CC1
InChIInChI=1S/C14H20F3N3O2S/c1-2-8-22-9-3-12(21)19-4-6-20(7-5-19)13-18-10-11(23-13)14(15,16)17/h10H,2-9H2,1H3
InChIKeyHFIXZGFFFHZWCO-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.63
Rot. Bonds6

About 3-propoxy-1-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one

3-propoxy-1-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one (PubChem CID 175827574) has the molecular formula C14H20F3N3O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is 3-propoxy-1-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-propoxy-1-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
PubChem CID175827574
Molecular FormulaC14H20F3N3O2S
Molecular Weight351.39 g/mol
Exact Mass351.12
IUPAC Name3-propoxy-1-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one
SMILESCCCOCCC(=O)N1CCN(c2ncc(C(F)(F)F)s2)CC1
InChIInChI=1S/C14H20F3N3O2S/c1-2-8-22-9-3-12(21)19-4-6-20(7-5-19)13-18-10-11(23-13)14(15,16)17/h10H,2-9H2,1H3
InChIKeyHFIXZGFFFHZWCO-UHFFFAOYSA-N
XLogP2.63
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-propoxy-1-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-1-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-propoxy-1-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one (CID 175827574) is 3-propoxy-1-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-propoxy-1-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-propoxy-1-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one is CCCOCCC(=O)N1CCN(c2ncc(C(F)(F)F)s2)CC1.
What is the InChIKey of 3-propoxy-1-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one?
The InChIKey is HFIXZGFFFHZWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2S/c1-2-8-22-9-3-12(21)19-4-6-20(7-5-19)13-18-10-11(23-13)14(15,16)17/h10H,2-9H2,1H3.
What are the key properties of 3-propoxy-1-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one?
3-propoxy-1-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one has a molecular weight of 351.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-1-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 175827574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).