1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone

C24H25N3O2S — CID 55605438

IUPAC1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(-c4csc(C)n4)cc3)CC2)cc1
InChIInChI=1S/C24H25N3O2S/c1-17(28)20-7-9-22(10-8-20)26-11-13-27(14-12-26)24(29)15-19-3-5-21(6-4-19)23-16-30-18(2)25-23/h3-10,16H,11-15H2,1-2H3
InChIKeyXEYTXKXRMHLUDR-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.21
Rot. Bonds5

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

1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone (PubChem CID 55605438) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone
PubChem CID55605438
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(-c4csc(C)n4)cc3)CC2)cc1
InChIInChI=1S/C24H25N3O2S/c1-17(28)20-7-9-22(10-8-20)26-11-13-27(14-12-26)24(29)15-19-3-5-21(6-4-19)23-16-30-18(2)25-23/h3-10,16H,11-15H2,1-2H3
InChIKeyXEYTXKXRMHLUDR-UHFFFAOYSA-N
XLogP4.21
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone with MolForge

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Related Compounds

4-[4-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]piperazin-1-yl]benzamide
CID 86969128
1-(4-methyl-1,4-diazepan-1-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone
CID 78859314
2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole
CID 58985190
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 53037588
1-[4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]phenyl]ethanone
CID 91835458
1-(4-ethylpiperazin-1-yl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]ethanone
CID 110300182
N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 16827165
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-bromoethanone
CID 63681378
N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41160073
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone
CID 55608126
1-[4-[4-(2-bromo-1,3-thiazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 167757787
methyl 4-[4-[2-(4-hydroxyphenyl)acetyl]piperazin-1-yl]benzoate
CID 70711272

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone (CID 55605438) is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)Cc3ccc(-c4csc(C)n4)cc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone?
The InChIKey is XEYTXKXRMHLUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-17(28)20-7-9-22(10-8-20)26-11-13-27(14-12-26)24(29)15-19-3-5-21(6-4-19)23-16-30-18(2)25-23/h3-10,16H,11-15H2,1-2H3.
What are the key properties of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone?
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone has a molecular weight of 419.55 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethanone is sourced from PubChem (CID 55605438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).