1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

C13H14FN3OS — CID 7539562

IUPAC1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc3c(F)cccc3s2)CC1
InChIInChI=1S/C13H14FN3OS/c1-9(18)16-5-7-17(8-6-16)13-15-12-10(14)3-2-4-11(12)19-13/h2-4H,5-8H2,1H3
InChIKeyMZWQXGXPLJGSTD-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.10
Rot. Bonds1

About 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 7539562) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID7539562
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc3c(F)cccc3s2)CC1
InChIInChI=1S/C13H14FN3OS/c1-9(18)16-5-7-17(8-6-16)13-15-12-10(14)3-2-4-11(12)19-13/h2-4H,5-8H2,1H3
InChIKeyMZWQXGXPLJGSTD-UHFFFAOYSA-N
XLogP2.10
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone (CID 7539562) is 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc3c(F)cccc3s2)CC1.
What is the InChIKey of 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is MZWQXGXPLJGSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-9(18)16-5-7-17(8-6-16)13-15-12-10(14)3-2-4-11(12)19-13/h2-4H,5-8H2,1H3.
What are the key properties of 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone?
1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 279.34 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 7539562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).