2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole

C14H17FN2S — CID 114429809

IUPAC2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole
SMILESCCC1CCNC(c2nc3cc(F)ccc3s2)C1
InChIInChI=1S/C14H17FN2S/c1-2-9-5-6-16-12(7-9)14-17-11-8-10(15)3-4-13(11)18-14/h3-4,8-9,12,16H,2,5-7H2,1H3
InChIKeyLGCATOZECNFMDR-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.89
Rot. Bonds2

About 2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole

2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole (PubChem CID 114429809) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole
PubChem CID114429809
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole
SMILESCCC1CCNC(c2nc3cc(F)ccc3s2)C1
InChIInChI=1S/C14H17FN2S/c1-2-9-5-6-16-12(7-9)14-17-11-8-10(15)3-4-13(11)18-14/h3-4,8-9,12,16H,2,5-7H2,1H3
InChIKeyLGCATOZECNFMDR-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole?
The IUPAC name of 2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole (CID 114429809) is 2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole.
What is the SMILES notation for 2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole?
The canonical SMILES for 2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole is CCC1CCNC(c2nc3cc(F)ccc3s2)C1.
What is the InChIKey of 2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole?
The InChIKey is LGCATOZECNFMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-2-9-5-6-16-12(7-9)14-17-11-8-10(15)3-4-13(11)18-14/h3-4,8-9,12,16H,2,5-7H2,1H3.
What are the key properties of 2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole?
2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole has a molecular weight of 264.37 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-2-yl)-5-fluoro-1,3-benzothiazole is sourced from PubChem (CID 114429809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).