3-(2,5-dihydro-1H-pyrrol-3-yl)-6-fluoro-1,2-benzothiazole

C11H9FN2S — CID 171510378

IUPAC3-(2,5-dihydro-1H-pyrrol-3-yl)-6-fluoro-1,2-benzothiazole
SMILESFc1ccc2c(C3=CCNC3)nsc2c1
InChIInChI=1S/C11H9FN2S/c12-8-1-2-9-10(5-8)15-14-11(9)7-3-4-13-6-7/h1-3,5,13H,4,6H2
InChIKeyZBRRUJNIKIMGLX-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.42
Rot. Bonds1

About 3-(2,5-dihydro-1H-pyrrol-3-yl)-6-fluoro-1,2-benzothiazole

3-(2,5-dihydro-1H-pyrrol-3-yl)-6-fluoro-1,2-benzothiazole (PubChem CID 171510378) has the molecular formula C11H9FN2S and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(2,5-dihydro-1H-pyrrol-3-yl)-6-fluoro-1,2-benzothiazole.

Molecular Properties

Compound Name3-(2,5-dihydro-1H-pyrrol-3-yl)-6-fluoro-1,2-benzothiazole
PubChem CID171510378
Molecular FormulaC11H9FN2S
Molecular Weight220.27 g/mol
Exact Mass220.05
IUPAC Name3-(2,5-dihydro-1H-pyrrol-3-yl)-6-fluoro-1,2-benzothiazole
SMILESFc1ccc2c(C3=CCNC3)nsc2c1
InChIInChI=1S/C11H9FN2S/c12-8-1-2-9-10(5-8)15-14-11(9)7-3-4-13-6-7/h1-3,5,13H,4,6H2
InChIKeyZBRRUJNIKIMGLX-UHFFFAOYSA-N
XLogP2.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydro-1H-pyrrol-3-yl)-6-fluoro-1,2-benzothiazole?
The IUPAC name of 3-(2,5-dihydro-1H-pyrrol-3-yl)-6-fluoro-1,2-benzothiazole (CID 171510378) is 3-(2,5-dihydro-1H-pyrrol-3-yl)-6-fluoro-1,2-benzothiazole.
What is the SMILES notation for 3-(2,5-dihydro-1H-pyrrol-3-yl)-6-fluoro-1,2-benzothiazole?
The canonical SMILES for 3-(2,5-dihydro-1H-pyrrol-3-yl)-6-fluoro-1,2-benzothiazole is Fc1ccc2c(C3=CCNC3)nsc2c1.
What is the InChIKey of 3-(2,5-dihydro-1H-pyrrol-3-yl)-6-fluoro-1,2-benzothiazole?
The InChIKey is ZBRRUJNIKIMGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2S/c12-8-1-2-9-10(5-8)15-14-11(9)7-3-4-13-6-7/h1-3,5,13H,4,6H2.
What are the key properties of 3-(2,5-dihydro-1H-pyrrol-3-yl)-6-fluoro-1,2-benzothiazole?
3-(2,5-dihydro-1H-pyrrol-3-yl)-6-fluoro-1,2-benzothiazole has a molecular weight of 220.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydro-1H-pyrrol-3-yl)-6-fluoro-1,2-benzothiazole is sourced from PubChem (CID 171510378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).