2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole

C21H24N4S — CID 9346990

IUPAC2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCc1ccc(-c2nc(CN3CCN(c4ccccn4)CC3)cs2)cc1
InChIInChI=1S/C21H24N4S/c1-2-17-6-8-18(9-7-17)21-23-19(16-26-21)15-24-11-13-25(14-12-24)20-5-3-4-10-22-20/h3-10,16H,2,11-15H2,1H3
InChIKeyGAYOELDGQANVHB-UHFFFAOYSA-N
MW364.52 g/mol
LogP4.09
Rot. Bonds5

About 2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole

2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 9346990) has the molecular formula C21H24N4S and a molecular weight of 364.52 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID9346990
Molecular FormulaC21H24N4S
Molecular Weight364.52 g/mol
Exact Mass364.17
IUPAC Name2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCCc1ccc(-c2nc(CN3CCN(c4ccccn4)CC3)cs2)cc1
InChIInChI=1S/C21H24N4S/c1-2-17-6-8-18(9-7-17)21-23-19(16-26-21)15-24-11-13-25(14-12-24)20-5-3-4-10-22-20/h3-10,16H,2,11-15H2,1H3
InChIKeyGAYOELDGQANVHB-UHFFFAOYSA-N
XLogP4.09
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6470537
N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 163346622
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276
2-(4-methylphenyl)-4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 8725468
4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 24628231
4-[[4-(2-ethylphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809613
5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 8616101
N-ethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 163349475
2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 60501855
(1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 95104663
2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline
CID 10127621
2-(2-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6467633

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole (CID 9346990) is 2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole is CCc1ccc(-c2nc(CN3CCN(c4ccccn4)CC3)cs2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is GAYOELDGQANVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4S/c1-2-17-6-8-18(9-7-17)21-23-19(16-26-21)15-24-11-13-25(14-12-24)20-5-3-4-10-22-20/h3-10,16H,2,11-15H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole?
2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 364.52 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 9346990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).