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

C22H24FN3S — CID 22195952

IUPAC4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
SMILESCc1ccccc1-c1nc(CN2CCN(Cc3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C22H24FN3S/c1-17-4-2-3-5-21(17)22-24-20(16-27-22)15-26-12-10-25(11-13-26)14-18-6-8-19(23)9-7-18/h2-9,16H,10-15H2,1H3
InChIKeyDIYXHGHFODNMNK-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.58
Rot. Bonds5

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

4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole (PubChem CID 22195952) has the molecular formula C22H24FN3S and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
PubChem CID22195952
Molecular FormulaC22H24FN3S
Molecular Weight381.52 g/mol
Exact Mass381.17
IUPAC Name4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
SMILESCc1ccccc1-c1nc(CN2CCN(Cc3ccc(F)cc3)CC2)cs1
InChIInChI=1S/C22H24FN3S/c1-17-4-2-3-5-21(17)22-24-20(16-27-22)15-26-12-10-25(11-13-26)14-18-6-8-19(23)9-7-18/h2-9,16H,10-15H2,1H3
InChIKeyDIYXHGHFODNMNK-UHFFFAOYSA-N
XLogP4.58
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22194703
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
4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 30412348
2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 22199821
(2S)-1-[4-[[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-2-ol
CID 95352568
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22200434
2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 8725468
1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)piperazine
CID 1377218
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
2-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 139027497
2-(2,3-dimethoxyphenyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 112801377

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole (CID 22195952) is 4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole is Cc1ccccc1-c1nc(CN2CCN(Cc3ccc(F)cc3)CC2)cs1.
What is the InChIKey of 4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole?
The InChIKey is DIYXHGHFODNMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3S/c1-17-4-2-3-5-21(17)22-24-20(16-27-22)15-26-12-10-25(11-13-26)14-18-6-8-19(23)9-7-18/h2-9,16H,10-15H2,1H3.
What are the key properties of 4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole?
4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole has a molecular weight of 381.52 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 22195952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).