1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]ethanone

C25H28N4O4S — CID 30941830

IUPAC1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]ethanone
SMILESCOc1ccc(OC)c(Nc2nc(CC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)cs2)c1
InChIInChI=1S/C25H28N4O4S/c1-17(30)18-4-6-20(7-5-18)28-10-12-29(13-11-28)24(31)14-19-16-34-25(26-19)27-22-15-21(32-2)8-9-23(22)33-3/h4-9,15-16H,10-14H2,1-3H3,(H,26,27)
InChIKeyRTBXVNGOUASZRD-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.00
Rot. Bonds8

About 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]ethanone

1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]ethanone (PubChem CID 30941830) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]ethanone
PubChem CID30941830
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]ethanone
SMILESCOc1ccc(OC)c(Nc2nc(CC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)cs2)c1
InChIInChI=1S/C25H28N4O4S/c1-17(30)18-4-6-20(7-5-18)28-10-12-29(13-11-28)24(31)14-19-16-34-25(26-19)27-22-15-21(32-2)8-9-23(22)33-3/h4-9,15-16H,10-14H2,1-3H3,(H,26,27)
InChIKeyRTBXVNGOUASZRD-UHFFFAOYSA-N
XLogP4.00
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-anilino-1,3-thiazol-4-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 27377709
4-chloro-N-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 27443348
N-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 18568255
N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41160073
N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 16827165
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 30941964
1-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea
CID 41159447
N-[4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 38601875
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 110374732
3-(2,5-dimethoxyanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109033715
2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 30941542
N-(3-acetamidophenyl)-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]acetamide
CID 30941849

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]ethanone (CID 30941830) is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]ethanone is COc1ccc(OC)c(Nc2nc(CC(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)cs2)c1.
What is the InChIKey of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]ethanone?
The InChIKey is RTBXVNGOUASZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-17(30)18-4-6-20(7-5-18)28-10-12-29(13-11-28)24(31)14-19-16-34-25(26-19)27-22-15-21(32-2)8-9-23(22)33-3/h4-9,15-16H,10-14H2,1-3H3,(H,26,27).
What are the key properties of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]ethanone?
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]ethanone has a molecular weight of 480.59 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 30941830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).