2-piperidin-4-yl-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole

C17H15F3N2OS — CID 146460753

IUPAC2-piperidin-4-yl-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccc2cc(-c3csc(C4CCNCC4)n3)oc2c1
InChIInChI=1S/C17H15F3N2OS/c18-17(19,20)12-2-1-11-7-15(23-14(11)8-12)13-9-24-16(22-13)10-3-5-21-6-4-10/h1-2,7-10,21H,3-6H2
InChIKeyVSIXONGVPGYIDU-UHFFFAOYSA-N
MW352.38 g/mol
LogP5.04
Rot. Bonds2

About 2-piperidin-4-yl-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole

2-piperidin-4-yl-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole (PubChem CID 146460753) has the molecular formula C17H15F3N2OS and a molecular weight of 352.38 g/mol. Its IUPAC name is 2-piperidin-4-yl-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-piperidin-4-yl-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole
PubChem CID146460753
Molecular FormulaC17H15F3N2OS
Molecular Weight352.38 g/mol
Exact Mass352.09
IUPAC Name2-piperidin-4-yl-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1ccc2cc(-c3csc(C4CCNCC4)n3)oc2c1
InChIInChI=1S/C17H15F3N2OS/c18-17(19,20)12-2-1-11-7-15(23-14(11)8-12)13-9-24-16(22-13)10-3-5-21-6-4-10/h1-2,7-10,21H,3-6H2
InChIKeyVSIXONGVPGYIDU-UHFFFAOYSA-N
XLogP5.04
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.38
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole?
The IUPAC name of 2-piperidin-4-yl-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole (CID 146460753) is 2-piperidin-4-yl-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-piperidin-4-yl-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole?
The canonical SMILES for 2-piperidin-4-yl-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole is FC(F)(F)c1ccc2cc(-c3csc(C4CCNCC4)n3)oc2c1.
What is the InChIKey of 2-piperidin-4-yl-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole?
The InChIKey is VSIXONGVPGYIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2OS/c18-17(19,20)12-2-1-11-7-15(23-14(11)8-12)13-9-24-16(22-13)10-3-5-21-6-4-10/h1-2,7-10,21H,3-6H2.
What are the key properties of 2-piperidin-4-yl-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole?
2-piperidin-4-yl-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole has a molecular weight of 352.38 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-4-[6-(trifluoromethyl)-1-benzofuran-2-yl]-1,3-thiazole is sourced from PubChem (CID 146460753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).