2-[4-[pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole

C19H18F3N5S — CID 56669056

IUPAC2-[4-[pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(C(c2cncnc2)N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C19H18F3N5S/c20-19(21,22)16-3-1-14(2-4-16)17(15-11-23-13-24-12-15)26-6-8-27(9-7-26)18-25-5-10-28-18/h1-5,10-13,17H,6-9H2
InChIKeyHNHVKIZEBSJYCO-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.86
Rot. Bonds4

About 2-[4-[pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole

2-[4-[pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole (PubChem CID 56669056) has the molecular formula C19H18F3N5S and a molecular weight of 405.45 g/mol. Its IUPAC name is 2-[4-[pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole
PubChem CID56669056
Molecular FormulaC19H18F3N5S
Molecular Weight405.45 g/mol
Exact Mass405.12
IUPAC Name2-[4-[pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(C(c2cncnc2)N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C19H18F3N5S/c20-19(21,22)16-3-1-14(2-4-16)17(15-11-23-13-24-12-15)26-6-8-27(9-7-26)18-25-5-10-28-18/h1-5,10-13,17H,6-9H2
InChIKeyHNHVKIZEBSJYCO-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole (CID 56669056) is 2-[4-[pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole is FC(F)(F)c1ccc(C(c2cncnc2)N2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of 2-[4-[pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is HNHVKIZEBSJYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5S/c20-19(21,22)16-3-1-14(2-4-16)17(15-11-23-13-24-12-15)26-6-8-27(9-7-26)18-25-5-10-28-18/h1-5,10-13,17H,6-9H2.
What are the key properties of 2-[4-[pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole?
2-[4-[pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 405.45 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[pyrimidin-5-yl-[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 56669056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).