N-(1,3-thiazol-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide

C20H21F3N6O2S — CID 55838501

IUPACN-(1,3-thiazol-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide
SMILESCC(c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(CC(=O)Nc2nccs2)CC1
InChIInChI=1S/C20H21F3N6O2S/c1-13(18-26-17(27-31-18)14-3-2-4-15(11-14)20(21,22)23)29-8-6-28(7-9-29)12-16(30)25-19-24-5-10-32-19/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,25,30)
InChIKeyFAAMVXZMUNAVOA-UHFFFAOYSA-N
MW466.49 g/mol
LogP3.53
Rot. Bonds6

About N-(1,3-thiazol-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide

N-(1,3-thiazol-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide (PubChem CID 55838501) has the molecular formula C20H21F3N6O2S and a molecular weight of 466.49 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide
PubChem CID55838501
Molecular FormulaC20H21F3N6O2S
Molecular Weight466.49 g/mol
Exact Mass466.14
IUPAC NameN-(1,3-thiazol-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide
SMILESCC(c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(CC(=O)Nc2nccs2)CC1
InChIInChI=1S/C20H21F3N6O2S/c1-13(18-26-17(27-31-18)14-3-2-4-15(11-14)20(21,22)23)29-8-6-28(7-9-29)12-16(30)25-19-24-5-10-32-19/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,25,30)
InChIKeyFAAMVXZMUNAVOA-UHFFFAOYSA-N
XLogP3.53
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide (CID 55838501) is N-(1,3-thiazol-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide is CC(c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(CC(=O)Nc2nccs2)CC1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide?
The InChIKey is FAAMVXZMUNAVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O2S/c1-13(18-26-17(27-31-18)14-3-2-4-15(11-14)20(21,22)23)29-8-6-28(7-9-29)12-16(30)25-19-24-5-10-32-19/h2-5,10-11,13H,6-9,12H2,1H3,(H,24,25,30).
What are the key properties of N-(1,3-thiazol-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide?
N-(1,3-thiazol-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide has a molecular weight of 466.49 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55838501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).