3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-one

C24H23F2N3O3S — CID 51115730

IUPAC3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)Cn3c(-c4ccc(F)cc4)c(C)sc3=O)CC2)c(F)c1
InChIInChI=1S/C24H23F2N3O3S/c1-15(30)18-5-8-21(20(26)13-18)27-9-11-28(12-10-27)22(31)14-29-23(16(2)33-24(29)32)17-3-6-19(25)7-4-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeyDXLNZQUUQTZVJF-UHFFFAOYSA-N
MW471.53 g/mol
LogP3.71
Rot. Bonds5

About 3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-one

3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-one (PubChem CID 51115730) has the molecular formula C24H23F2N3O3S and a molecular weight of 471.53 g/mol. Its IUPAC name is 3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-one
PubChem CID51115730
Molecular FormulaC24H23F2N3O3S
Molecular Weight471.53 g/mol
Exact Mass471.14
IUPAC Name3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-one
SMILESCC(=O)c1ccc(N2CCN(C(=O)Cn3c(-c4ccc(F)cc4)c(C)sc3=O)CC2)c(F)c1
InChIInChI=1S/C24H23F2N3O3S/c1-15(30)18-5-8-21(20(26)13-18)27-9-11-28(12-10-27)22(31)14-29-23(16(2)33-24(29)32)17-3-6-19(25)7-4-17/h3-8,13H,9-12,14H2,1-2H3
InChIKeyDXLNZQUUQTZVJF-UHFFFAOYSA-N
XLogP3.71
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]azocan-2-one
CID 55740858
1-[4-[4-(4-ethyl-5-methylthiophene-2-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 17448046
[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 55467929
[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 24569578
(2R)-1-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119914016
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 18120082
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-4-(5-chlorothiophen-2-yl)butane-1,4-dione
CID 26959832
2-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 24668590
1-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549169
(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride
CID 119836978
N-[3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide
CID 26959613
5-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 22110276

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-one (CID 51115730) is 3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-one is CC(=O)c1ccc(N2CCN(C(=O)Cn3c(-c4ccc(F)cc4)c(C)sc3=O)CC2)c(F)c1.
What is the InChIKey of 3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-one?
The InChIKey is DXLNZQUUQTZVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O3S/c1-15(30)18-5-8-21(20(26)13-18)27-9-11-28(12-10-27)22(31)14-29-23(16(2)33-24(29)32)17-3-6-19(25)7-4-17/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-one?
3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-one has a molecular weight of 471.53 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 51115730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).