2-[[1-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]-1,3-thiazole

C19H21FN4S — CID 166361464

IUPAC2-[[1-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]-1,3-thiazole
SMILESFc1ccccc1-n1ccc(CN2CCC(Cc3nccs3)CC2)n1
InChIInChI=1S/C19H21FN4S/c20-17-3-1-2-4-18(17)24-11-7-16(22-24)14-23-9-5-15(6-10-23)13-19-21-8-12-25-19/h1-4,7-8,11-12,15H,5-6,9-10,13-14H2
InChIKeyPJXRPUHYODSNRS-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.92
Rot. Bonds5

About 2-[[1-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]-1,3-thiazole

2-[[1-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]-1,3-thiazole (PubChem CID 166361464) has the molecular formula C19H21FN4S and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[[1-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[1-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]-1,3-thiazole
PubChem CID166361464
Molecular FormulaC19H21FN4S
Molecular Weight356.47 g/mol
Exact Mass356.15
IUPAC Name2-[[1-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]-1,3-thiazole
SMILESFc1ccccc1-n1ccc(CN2CCC(Cc3nccs3)CC2)n1
InChIInChI=1S/C19H21FN4S/c20-17-3-1-2-4-18(17)24-11-7-16(22-24)14-23-9-5-15(6-10-23)13-19-21-8-12-25-19/h1-4,7-8,11-12,15H,5-6,9-10,13-14H2
InChIKeyPJXRPUHYODSNRS-UHFFFAOYSA-N
XLogP3.92
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[1-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]-1,3-thiazole (CID 166361464) is 2-[[1-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[1-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[1-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]-1,3-thiazole is Fc1ccccc1-n1ccc(CN2CCC(Cc3nccs3)CC2)n1.
What is the InChIKey of 2-[[1-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]-1,3-thiazole?
The InChIKey is PJXRPUHYODSNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4S/c20-17-3-1-2-4-18(17)24-11-7-16(22-24)14-23-9-5-15(6-10-23)13-19-21-8-12-25-19/h1-4,7-8,11-12,15H,5-6,9-10,13-14H2.
What are the key properties of 2-[[1-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]-1,3-thiazole?
2-[[1-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]-1,3-thiazole has a molecular weight of 356.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 166361464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).