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

C23H26ClN3OS — CID 121067613

IUPAC1-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone;hydrochloride
SMILESCc1csc(CN2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)n1.Cl
InChIInChI=1S/C23H25N3OS.ClH/c1-18-17-28-22(24-18)16-25-11-13-26(14-12-25)23(27)15-19-7-9-21(10-8-19)20-5-3-2-4-6-20;/h2-10,17H,11-16H2,1H3;1H
InChIKeyFLFNHPKNKPLHSU-UHFFFAOYSA-N
MW428.00 g/mol
LogP4.43
Rot. Bonds5

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

1-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone;hydrochloride (PubChem CID 121067613) has the molecular formula C23H26ClN3OS and a molecular weight of 428.00 g/mol. Its IUPAC name is 1-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone;hydrochloride
PubChem CID121067613
Molecular FormulaC23H26ClN3OS
Molecular Weight428.00 g/mol
Exact Mass427.15
IUPAC Name1-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone;hydrochloride
SMILESCc1csc(CN2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)n1.Cl
InChIInChI=1S/C23H25N3OS.ClH/c1-18-17-28-22(24-18)16-25-11-13-26(14-12-25)23(27)15-19-7-9-21(10-8-19)20-5-3-2-4-6-20;/h2-10,17H,11-16H2,1H3;1H
InChIKeyFLFNHPKNKPLHSU-UHFFFAOYSA-N
XLogP4.43
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.00
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone;hydrochloride with MolForge

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Related Compounds

2-(4-fluorophenyl)-1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride
CID 71780187
2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione
CID 9324948
2-(4-methyl-1,3-thiazol-2-yl)-1-[4-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 9324997
1-(4-methyl-1,4-diazepan-1-yl)-2-(4-phenylphenyl)ethanone
CID 17167239
(3,4-dimethylphenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride
CID 121067580
(3-fluorophenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride
CID 71780114
1-(4-benzyl-1,4-diazepan-1-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]ethanone
CID 112803915
2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40796933
2-(4-aminophenyl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 119864315
1-(azepan-1-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 30485899
1-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 71780254
2-(4-methoxyphenyl)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 50762160

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone;hydrochloride?
The IUPAC name of 1-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone;hydrochloride (CID 121067613) is 1-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone;hydrochloride?
The canonical SMILES for 1-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone;hydrochloride is Cc1csc(CN2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)n1.Cl.
What is the InChIKey of 1-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone;hydrochloride?
The InChIKey is FLFNHPKNKPLHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS.ClH/c1-18-17-28-22(24-18)16-25-11-13-26(14-12-25)23(27)15-19-7-9-21(10-8-19)20-5-3-2-4-6-20;/h2-10,17H,11-16H2,1H3;1H.
What are the key properties of 1-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone;hydrochloride?
1-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone;hydrochloride has a molecular weight of 428.00 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone;hydrochloride is sourced from PubChem (CID 121067613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).