2-(2-piperidin-4-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazole

C15H17F3N2S — CID 62215876

IUPAC2-(2-piperidin-4-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1ccc2sc(CCC3CCNCC3)nc2c1
InChIInChI=1S/C15H17F3N2S/c16-15(17,18)11-2-3-13-12(9-11)20-14(21-13)4-1-10-5-7-19-8-6-10/h2-3,9-10,19H,1,4-8H2
InChIKeyALNRJAKAENSETE-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.25
Rot. Bonds3

About 2-(2-piperidin-4-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazole

2-(2-piperidin-4-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazole (PubChem CID 62215876) has the molecular formula C15H17F3N2S and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-(2-piperidin-4-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-piperidin-4-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazole
PubChem CID62215876
Molecular FormulaC15H17F3N2S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name2-(2-piperidin-4-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1ccc2sc(CCC3CCNCC3)nc2c1
InChIInChI=1S/C15H17F3N2S/c16-15(17,18)11-2-3-13-12(9-11)20-14(21-13)4-1-10-5-7-19-8-6-10/h2-3,9-10,19H,1,4-8H2
InChIKeyALNRJAKAENSETE-UHFFFAOYSA-N
XLogP4.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazole?
The IUPAC name of 2-(2-piperidin-4-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazole (CID 62215876) is 2-(2-piperidin-4-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-piperidin-4-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 2-(2-piperidin-4-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazole is FC(F)(F)c1ccc2sc(CCC3CCNCC3)nc2c1.
What is the InChIKey of 2-(2-piperidin-4-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazole?
The InChIKey is ALNRJAKAENSETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2S/c16-15(17,18)11-2-3-13-12(9-11)20-14(21-13)4-1-10-5-7-19-8-6-10/h2-3,9-10,19H,1,4-8H2.
What are the key properties of 2-(2-piperidin-4-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazole?
2-(2-piperidin-4-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazole has a molecular weight of 314.38 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-ylethyl)-5-(trifluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 62215876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).