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

C20H20FN3OS2 — CID 30860611

IUPAC2-(4-fluorophenyl)-1-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C20H20FN3OS2/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
InChIKeyHEAVZRJSKMBGKY-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.90
Rot. Bonds5

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

2-(4-fluorophenyl)-1-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 30860611) has the molecular formula C20H20FN3OS2 and a molecular weight of 401.53 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
PubChem CID30860611
Molecular FormulaC20H20FN3OS2
Molecular Weight401.53 g/mol
Exact Mass401.10
IUPAC Name2-(4-fluorophenyl)-1-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1
InChIInChI=1S/C20H20FN3OS2/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
InChIKeyHEAVZRJSKMBGKY-UHFFFAOYSA-N
XLogP3.90
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone (CID 30860611) is 2-(4-fluorophenyl)-1-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is HEAVZRJSKMBGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS2/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-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 401.53 g/mol, XLogP of 3.90, 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-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 30860611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).