2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-1,3-thiazole

C11H16FN3OS — CID 126856291

IUPAC2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-1,3-thiazole
SMILESF[C@@H]1COC[C@H]1N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H16FN3OS/c12-9-7-16-8-10(9)14-2-4-15(5-3-14)11-13-1-6-17-11/h1,6,9-10H,2-5,7-8H2/t9-,10-/m1/s1
InChIKeyZUMKDCAZRVHMFM-NXEZZACHSA-N
MW257.33 g/mol
LogP1.00
Rot. Bonds2

About 2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-1,3-thiazole

2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-1,3-thiazole (PubChem CID 126856291) has the molecular formula C11H16FN3OS and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-1,3-thiazole
PubChem CID126856291
Molecular FormulaC11H16FN3OS
Molecular Weight257.33 g/mol
Exact Mass257.10
IUPAC Name2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-1,3-thiazole
SMILESF[C@@H]1COC[C@H]1N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H16FN3OS/c12-9-7-16-8-10(9)14-2-4-15(5-3-14)11-13-1-6-17-11/h1,6,9-10H,2-5,7-8H2/t9-,10-/m1/s1
InChIKeyZUMKDCAZRVHMFM-NXEZZACHSA-N
XLogP1.00
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-1,3-thiazole (CID 126856291) is 2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-1,3-thiazole is F[C@@H]1COC[C@H]1N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is ZUMKDCAZRVHMFM-NXEZZACHSA-N. The full InChI is InChI=1S/C11H16FN3OS/c12-9-7-16-8-10(9)14-2-4-15(5-3-14)11-13-1-6-17-11/h1,6,9-10H,2-5,7-8H2/t9-,10-/m1/s1.
What are the key properties of 2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-1,3-thiazole?
2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 257.33 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R,4S)-4-fluorooxolan-3-yl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 126856291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).