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

C21H23N3S — CID 22198373

IUPAC2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCc1ccccc1-c1nc(CN2CCN(c3ccccc3)CC2)cs1
InChIInChI=1S/C21H23N3S/c1-17-7-5-6-10-20(17)21-22-18(16-25-21)15-23-11-13-24(14-12-23)19-8-3-2-4-9-19/h2-10,16H,11-15H2,1H3
InChIKeyCRNLDVPPVPLKQY-UHFFFAOYSA-N
MW349.50 g/mol
LogP4.44
Rot. Bonds4

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

2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 22198373) has the molecular formula C21H23N3S and a molecular weight of 349.50 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID22198373
Molecular FormulaC21H23N3S
Molecular Weight349.50 g/mol
Exact Mass349.16
IUPAC Name2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCc1ccccc1-c1nc(CN2CCN(c3ccccc3)CC2)cs1
InChIInChI=1S/C21H23N3S/c1-17-7-5-6-10-20(17)21-22-18(16-25-21)15-23-11-13-24(14-12-23)19-8-3-2-4-9-19/h2-10,16H,11-15H2,1H3
InChIKeyCRNLDVPPVPLKQY-UHFFFAOYSA-N
XLogP4.44
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6467633
4-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22194703
4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22195952
2-(2-methylphenyl)-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 22199821
2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 56675742
2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 8725468
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-2-(2-methylphenyl)-1,3-thiazole
CID 22200434
2-methyl-4-[[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 139027497
3-methyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]aniline
CID 58107329
4-[[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 90507613
4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 6456473
4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole
CID 22199471

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole (CID 22198373) is 2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole is Cc1ccccc1-c1nc(CN2CCN(c3ccccc3)CC2)cs1.
What is the InChIKey of 2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is CRNLDVPPVPLKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3S/c1-17-7-5-6-10-20(17)21-22-18(16-25-21)15-23-11-13-24(14-12-23)19-8-3-2-4-9-19/h2-10,16H,11-15H2,1H3.
What are the key properties of 2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole?
2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 349.50 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 22198373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).