4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole

C22H24ClN3S — CID 22194703

IUPAC4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
SMILESCc1ccccc1-c1nc(CN2CCN(Cc3ccccc3Cl)CC2)cs1
InChIInChI=1S/C22H24ClN3S/c1-17-6-2-4-8-20(17)22-24-19(16-27-22)15-26-12-10-25(11-13-26)14-18-7-3-5-9-21(18)23/h2-9,16H,10-15H2,1H3
InChIKeyZFZKIJPGSFQNHC-UHFFFAOYSA-N
MW397.98 g/mol
LogP5.09
Rot. Bonds5

About 4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole

4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole (PubChem CID 22194703) has the molecular formula C22H24ClN3S and a molecular weight of 397.98 g/mol. Its IUPAC name is 4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
PubChem CID22194703
Molecular FormulaC22H24ClN3S
Molecular Weight397.98 g/mol
Exact Mass397.14
IUPAC Name4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
SMILESCc1ccccc1-c1nc(CN2CCN(Cc3ccccc3Cl)CC2)cs1
InChIInChI=1S/C22H24ClN3S/c1-17-6-2-4-8-20(17)22-24-19(16-27-22)15-26-12-10-25(11-13-26)14-18-7-3-5-9-21(18)23/h2-9,16H,10-15H2,1H3
InChIKeyZFZKIJPGSFQNHC-UHFFFAOYSA-N
XLogP5.09
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.98
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22195952
2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole
CID 22198373
2-(2-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6467633
2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 22199821
2-(2-chlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 22197700
4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]morpholine
CID 6465501
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22200434
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylpiperidin-4-ol
CID 80703333
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
CID 43556502
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 171701082
4-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 22195641
2-(2-chlorophenyl)-4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazole
CID 22198040

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole (CID 22194703) is 4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole is Cc1ccccc1-c1nc(CN2CCN(Cc3ccccc3Cl)CC2)cs1.
What is the InChIKey of 4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole?
The InChIKey is ZFZKIJPGSFQNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3S/c1-17-6-2-4-8-20(17)22-24-19(16-27-22)15-26-12-10-25(11-13-26)14-18-7-3-5-9-21(18)23/h2-9,16H,10-15H2,1H3.
What are the key properties of 4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole?
4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole has a molecular weight of 397.98 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 22194703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).