thiophen-3-yl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone

C17H14F3N5O2S — CID 71780520

IUPACthiophen-3-yl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1ccsc1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1
InChIInChI=1S/C17H14F3N5O2S/c18-17(19,20)16-22-14(23-27-16)11-1-2-13(21-9-11)24-4-6-25(7-5-24)15(26)12-3-8-28-10-12/h1-3,8-10H,4-7H2
InChIKeyZYEAHRZGDIQOSL-UHFFFAOYSA-N
MW409.39 g/mol
LogP3.17
Rot. Bonds3

About thiophen-3-yl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone

thiophen-3-yl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 71780520) has the molecular formula C17H14F3N5O2S and a molecular weight of 409.39 g/mol. Its IUPAC name is thiophen-3-yl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namethiophen-3-yl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID71780520
Molecular FormulaC17H14F3N5O2S
Molecular Weight409.39 g/mol
Exact Mass409.08
IUPAC Namethiophen-3-yl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1ccsc1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1
InChIInChI=1S/C17H14F3N5O2S/c18-17(19,20)16-22-14(23-27-16)11-1-2-13(21-9-11)24-4-6-25(7-5-24)15(26)12-3-8-28-10-12/h1-3,8-10H,4-7H2
InChIKeyZYEAHRZGDIQOSL-UHFFFAOYSA-N
XLogP3.17
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of thiophen-3-yl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of thiophen-3-yl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone (CID 71780520) is thiophen-3-yl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for thiophen-3-yl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for thiophen-3-yl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone is O=C(c1ccsc1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)cn2)CC1.
What is the InChIKey of thiophen-3-yl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is ZYEAHRZGDIQOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2S/c18-17(19,20)16-22-14(23-27-16)11-1-2-13(21-9-11)24-4-6-25(7-5-24)15(26)12-3-8-28-10-12/h1-3,8-10H,4-7H2.
What are the key properties of thiophen-3-yl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone?
thiophen-3-yl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 409.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-3-yl-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 71780520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).