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

C21H23FN4OS2 — CID 30869089

IUPACN-[(4-fluorophenyl)methyl]-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2nc(-c3cccs3)cs2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C21H23FN4OS2/c22-17-5-3-16(4-6-17)12-23-20(27)13-25-7-9-26(10-8-25)14-21-24-18(15-29-21)19-2-1-11-28-19/h1-6,11,15H,7-10,12-14H2,(H,23,27)
InChIKeyCQAZAYZTVAUSNL-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.44
Rot. Bonds7

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

N-[(4-fluorophenyl)methyl]-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 30869089) has the molecular formula C21H23FN4OS2 and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide
PubChem CID30869089
Molecular FormulaC21H23FN4OS2
Molecular Weight430.57 g/mol
Exact Mass430.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2nc(-c3cccs3)cs2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C21H23FN4OS2/c22-17-5-3-16(4-6-17)12-23-20(27)13-25-7-9-26(10-8-25)14-21-24-18(15-29-21)19-2-1-11-28-19/h1-6,11,15H,7-10,12-14H2,(H,23,27)
InChIKeyCQAZAYZTVAUSNL-UHFFFAOYSA-N
XLogP3.44
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-fluorophenyl)methyl]-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide 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 N-[(4-fluorophenyl)methyl]-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide (CID 30869089) is N-[(4-fluorophenyl)methyl]-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2nc(-c3cccs3)cs2)CC1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is CQAZAYZTVAUSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4OS2/c22-17-5-3-16(4-6-17)12-23-20(27)13-25-7-9-26(10-8-25)14-21-24-18(15-29-21)19-2-1-11-28-19/h1-6,11,15H,7-10,12-14H2,(H,23,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 430.57 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30869089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).