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

C18H21FN4O2S — CID 34193850

IUPAC2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)Nc3nc(C)cs3)CC2)c(F)c1
InChIInChI=1S/C18H21FN4O2S/c1-12-11-26-18(20-12)21-17(25)10-22-5-7-23(8-6-22)16-4-3-14(13(2)24)9-15(16)19/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,21,25)
InChIKeyQHQGLUCIYKNBFI-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.55
Rot. Bonds5

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

2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 34193850) has the molecular formula C18H21FN4O2S and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID34193850
Molecular FormulaC18H21FN4O2S
Molecular Weight376.46 g/mol
Exact Mass376.14
IUPAC Name2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)Nc3nc(C)cs3)CC2)c(F)c1
InChIInChI=1S/C18H21FN4O2S/c1-12-11-26-18(20-12)21-17(25)10-22-5-7-23(8-6-22)16-4-3-14(13(2)24)9-15(16)19/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,21,25)
InChIKeyQHQGLUCIYKNBFI-UHFFFAOYSA-N
XLogP2.55
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 26383061
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 34915411
2-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521752
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 34915311
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 26382499
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 26383070
1-[3-fluoro-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]phenyl]ethanone
CID 133313515
N-(4-acetylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 171668840
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 63596576
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 36856314
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 26362628
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 22199238

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 34193850) is 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is CC(=O)c1ccc(N2CCN(CC(=O)Nc3nc(C)cs3)CC2)c(F)c1.
What is the InChIKey of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is QHQGLUCIYKNBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2S/c1-12-11-26-18(20-12)21-17(25)10-22-5-7-23(8-6-22)16-4-3-14(13(2)24)9-15(16)19/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,21,25).
What are the key properties of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 34193850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).