2-(4-fluorophenyl)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone

C20H20FN3O2S — CID 30860549

IUPAC2-(4-fluorophenyl)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1
InChIInChI=1S/C20H20FN3O2S/c21-16-5-3-15(4-6-16)12-20(25)24-9-7-23(8-10-24)13-19-22-17(14-27-19)18-2-1-11-26-18/h1-6,11,14H,7-10,12-13H2
InChIKeyXITZAJCVUGEKIG-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.43
Rot. Bonds5

About 2-(4-fluorophenyl)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone

2-(4-fluorophenyl)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 30860549) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone
PubChem CID30860549
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name2-(4-fluorophenyl)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1
InChIInChI=1S/C20H20FN3O2S/c21-16-5-3-15(4-6-16)12-20(25)24-9-7-23(8-10-24)13-19-22-17(14-27-19)18-2-1-11-26-18/h1-6,11,14H,7-10,12-13H2
InChIKeyXITZAJCVUGEKIG-UHFFFAOYSA-N
XLogP3.43
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone 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 2-(4-fluorophenyl)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone (CID 30860549) is 2-(4-fluorophenyl)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is XITZAJCVUGEKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c21-16-5-3-15(4-6-16)12-20(25)24-9-7-23(8-10-24)13-19-22-17(14-27-19)18-2-1-11-26-18/h1-6,11,14H,7-10,12-13H2.
What are the key properties of 2-(4-fluorophenyl)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 385.46 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 30860549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).