2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride

C21H26ClN5OS — CID 120879333

IUPAC2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
SMILESCCc1ccc(-c2nc(CC(=O)N3CCNCC3c3nccn3C)cs2)cc1.Cl
InChIInChI=1S/C21H25N5OS.ClH/c1-3-15-4-6-16(7-5-15)21-24-17(14-28-21)12-19(27)26-11-8-22-13-18(26)20-23-9-10-25(20)2;/h4-7,9-10,14,18,22H,3,8,11-13H2,1-2H3;1H
InChIKeyTYMRZNRKDKVXCD-UHFFFAOYSA-N
MW431.99 g/mol
LogP3.24
Rot. Bonds5

About 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 120879333) has the molecular formula C21H26ClN5OS and a molecular weight of 431.99 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID120879333
Molecular FormulaC21H26ClN5OS
Molecular Weight431.99 g/mol
Exact Mass431.15
IUPAC Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
SMILESCCc1ccc(-c2nc(CC(=O)N3CCNCC3c3nccn3C)cs2)cc1.Cl
InChIInChI=1S/C21H25N5OS.ClH/c1-3-15-4-6-16(7-5-15)21-24-17(14-28-21)12-19(27)26-11-8-22-13-18(26)20-23-9-10-25(20)2;/h4-7,9-10,14,18,22H,3,8,11-13H2,1-2H3;1H
InChIKeyTYMRZNRKDKVXCD-UHFFFAOYSA-N
XLogP3.24
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.99
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride 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-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride
CID 120880213
2-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878647
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone;hydrochloride
CID 120877941
2-(3-bromo-4-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120877315
2-(3,5-diethyl-1,2-oxazol-4-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879547
2-(2-fluorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120879127
2-(2,6-dichlorophenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120880473
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120879066
3-(4-ethoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120878055
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-pyrazol-1-ylethanone;dihydrochloride
CID 120879343
2-(2-methoxyphenyl)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120878371
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 120878181

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride (CID 120879333) is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride is CCc1ccc(-c2nc(CC(=O)N3CCNCC3c3nccn3C)cs2)cc1.Cl.
What is the InChIKey of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is TYMRZNRKDKVXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS.ClH/c1-3-15-4-6-16(7-5-15)21-24-17(14-28-21)12-19(27)26-11-8-22-13-18(26)20-23-9-10-25(20)2;/h4-7,9-10,14,18,22H,3,8,11-13H2,1-2H3;1H.
What are the key properties of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride?
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 431.99 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120879333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).