2-[4-(2-fluorocyclopentyl)piperazin-1-yl]-1,3-thiazole

C12H18FN3S — CID 126857870

IUPAC2-[4-(2-fluorocyclopentyl)piperazin-1-yl]-1,3-thiazole
SMILESFC1CCCC1N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H18FN3S/c13-10-2-1-3-11(10)15-5-7-16(8-6-15)12-14-4-9-17-12/h4,9-11H,1-3,5-8H2
InChIKeyZEZMXYYVMZTTBT-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.16
Rot. Bonds2

About 2-[4-(2-fluorocyclopentyl)piperazin-1-yl]-1,3-thiazole

2-[4-(2-fluorocyclopentyl)piperazin-1-yl]-1,3-thiazole (PubChem CID 126857870) has the molecular formula C12H18FN3S and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[4-(2-fluorocyclopentyl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2-fluorocyclopentyl)piperazin-1-yl]-1,3-thiazole
PubChem CID126857870
Molecular FormulaC12H18FN3S
Molecular Weight255.36 g/mol
Exact Mass255.12
IUPAC Name2-[4-(2-fluorocyclopentyl)piperazin-1-yl]-1,3-thiazole
SMILESFC1CCCC1N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H18FN3S/c13-10-2-1-3-11(10)15-5-7-16(8-6-15)12-14-4-9-17-12/h4,9-11H,1-3,5-8H2
InChIKeyZEZMXYYVMZTTBT-UHFFFAOYSA-N
XLogP2.16
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorocyclopentyl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(2-fluorocyclopentyl)piperazin-1-yl]-1,3-thiazole (CID 126857870) is 2-[4-(2-fluorocyclopentyl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(2-fluorocyclopentyl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(2-fluorocyclopentyl)piperazin-1-yl]-1,3-thiazole is FC1CCCC1N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-(2-fluorocyclopentyl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is ZEZMXYYVMZTTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3S/c13-10-2-1-3-11(10)15-5-7-16(8-6-15)12-14-4-9-17-12/h4,9-11H,1-3,5-8H2.
What are the key properties of 2-[4-(2-fluorocyclopentyl)piperazin-1-yl]-1,3-thiazole?
2-[4-(2-fluorocyclopentyl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 255.36 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorocyclopentyl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 126857870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).