1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone

C20H21N3O2S2 — CID 120734494

IUPAC1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCOc1ccccc1C1CNCCN1C(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C20H21N3O2S2/c1-25-17-6-3-2-5-15(17)16-12-21-8-9-23(16)19(24)11-14-13-27-20(22-14)18-7-4-10-26-18/h2-7,10,13,16,21H,8-9,11-12H2,1H3
InChIKeyISFKNCFCNMAWDP-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.60
Rot. Bonds5

About 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone

1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 120734494) has the molecular formula C20H21N3O2S2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
PubChem CID120734494
Molecular FormulaC20H21N3O2S2
Molecular Weight399.54 g/mol
Exact Mass399.11
IUPAC Name1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCOc1ccccc1C1CNCCN1C(=O)Cc1csc(-c2cccs2)n1
InChIInChI=1S/C20H21N3O2S2/c1-25-17-6-3-2-5-15(17)16-12-21-8-9-23(16)19(24)11-14-13-27-20(22-14)18-7-4-10-26-18/h2-7,10,13,16,21H,8-9,11-12H2,1H3
InChIKeyISFKNCFCNMAWDP-UHFFFAOYSA-N
XLogP3.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-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-methoxyphenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 120733413
2-(1-benzothiophen-3-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733235
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutan-1-one;hydrochloride
CID 120733635
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120733408
N-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide;hydrochloride
CID 120733950
(2-benzyl-1,3-thiazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120732761
2-(2-methoxy-5-methylphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734683
2-(2,3-difluorophenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120735387
2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129465770
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120733090
2-[2-(difluoromethoxy)phenyl]-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120732889
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734383

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone (CID 120734494) is 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone is COc1ccccc1C1CNCCN1C(=O)Cc1csc(-c2cccs2)n1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is ISFKNCFCNMAWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S2/c1-25-17-6-3-2-5-15(17)16-12-21-8-9-23(16)19(24)11-14-13-27-20(22-14)18-7-4-10-26-18/h2-7,10,13,16,21H,8-9,11-12H2,1H3.
What are the key properties of 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone?
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 399.54 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 120734494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).