3-(1-ethylpiperidin-4-yl)-6-fluoro-1,2-benzothiazole

C14H17FN2S — CID 173320165

IUPAC3-(1-ethylpiperidin-4-yl)-6-fluoro-1,2-benzothiazole
SMILESCCN1CCC(c2nsc3cc(F)ccc23)CC1
InChIInChI=1S/C14H17FN2S/c1-2-17-7-5-10(6-8-17)14-12-4-3-11(15)9-13(12)18-16-14/h3-4,9-10H,2,5-8H2,1H3
InChIKeyHIEHXBMMKCOUEQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.63
Rot. Bonds2

About 3-(1-ethylpiperidin-4-yl)-6-fluoro-1,2-benzothiazole

3-(1-ethylpiperidin-4-yl)-6-fluoro-1,2-benzothiazole (PubChem CID 173320165) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-6-fluoro-1,2-benzothiazole.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-6-fluoro-1,2-benzothiazole
PubChem CID173320165
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name3-(1-ethylpiperidin-4-yl)-6-fluoro-1,2-benzothiazole
SMILESCCN1CCC(c2nsc3cc(F)ccc23)CC1
InChIInChI=1S/C14H17FN2S/c1-2-17-7-5-10(6-8-17)14-12-4-3-11(15)9-13(12)18-16-14/h3-4,9-10H,2,5-8H2,1H3
InChIKeyHIEHXBMMKCOUEQ-UHFFFAOYSA-N
XLogP3.63
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-6-fluoro-1,2-benzothiazole?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-6-fluoro-1,2-benzothiazole (CID 173320165) is 3-(1-ethylpiperidin-4-yl)-6-fluoro-1,2-benzothiazole.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-6-fluoro-1,2-benzothiazole?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-6-fluoro-1,2-benzothiazole is CCN1CCC(c2nsc3cc(F)ccc23)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-6-fluoro-1,2-benzothiazole?
The InChIKey is HIEHXBMMKCOUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-2-17-7-5-10(6-8-17)14-12-4-3-11(15)9-13(12)18-16-14/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of 3-(1-ethylpiperidin-4-yl)-6-fluoro-1,2-benzothiazole?
3-(1-ethylpiperidin-4-yl)-6-fluoro-1,2-benzothiazole has a molecular weight of 264.37 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-6-fluoro-1,2-benzothiazole is sourced from PubChem (CID 173320165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).