4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C19H18F3N5S — CID 24628231

IUPAC4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2nc(CN3CCN(c4ncccn4)CC3)cs2)cc1
InChIInChI=1S/C19H18F3N5S/c20-19(21,22)15-4-2-14(3-5-15)17-25-16(13-28-17)12-26-8-10-27(11-9-26)18-23-6-1-7-24-18/h1-7,13H,8-12H2
InChIKeyGYKRJETVXXVUEB-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.94
Rot. Bonds4

About 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 24628231) has the molecular formula C19H18F3N5S and a molecular weight of 405.45 g/mol. Its IUPAC name is 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID24628231
Molecular FormulaC19H18F3N5S
Molecular Weight405.45 g/mol
Exact Mass405.12
IUPAC Name4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2nc(CN3CCN(c4ncccn4)CC3)cs2)cc1
InChIInChI=1S/C19H18F3N5S/c20-19(21,22)15-4-2-14(3-5-15)17-25-16(13-28-17)12-26-8-10-27(11-9-26)18-23-6-1-7-24-18/h1-7,13H,8-12H2
InChIKeyGYKRJETVXXVUEB-UHFFFAOYSA-N
XLogP3.94
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 27122809
2-(2-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6467633
1-pyrrolidin-1-yl-2-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 24628228
furan-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 37376323
N-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine
CID 120913071
2-phenyl-4-[[4-[2-(trifluoromethyl)quinazolin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 24606712
2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 9346990
(3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 135091194
N-ethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 163349475
2-thiophen-2-yl-4-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 46615207
N-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 8543234
[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]methylazanide
CID 157303748

Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 24628231) is 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is FC(F)(F)c1ccc(-c2nc(CN3CCN(c4ncccn4)CC3)cs2)cc1.
What is the InChIKey of 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is GYKRJETVXXVUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5S/c20-19(21,22)15-4-2-14(3-5-15)17-25-16(13-28-17)12-26-8-10-27(11-9-26)18-23-6-1-7-24-18/h1-7,13H,8-12H2.
What are the key properties of 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 405.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 24628231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).