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

C21H23F3N6O2S — CID 55838628

IUPACN-(1,3-thiazol-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1nccs1)N1CCN(C(C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1
InChIInChI=1S/C21H23F3N6O2S/c1-13(18(31)27-20-25-6-11-33-20)29-7-9-30(10-8-29)14(2)19-26-17(28-32-19)15-4-3-5-16(12-15)21(22,23)24/h3-6,11-14H,7-10H2,1-2H3,(H,25,27,31)
InChIKeyCUYTYQGVEZZBAA-UHFFFAOYSA-N
MW480.52 g/mol
LogP3.92
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]propanamide

N-(1,3-thiazol-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide (PubChem CID 55838628) has the molecular formula C21H23F3N6O2S and a molecular weight of 480.52 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]propanamide.

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]propanamide
PubChem CID55838628
Molecular FormulaC21H23F3N6O2S
Molecular Weight480.52 g/mol
Exact Mass480.16
IUPAC NameN-(1,3-thiazol-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1nccs1)N1CCN(C(C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1
InChIInChI=1S/C21H23F3N6O2S/c1-13(18(31)27-20-25-6-11-33-20)29-7-9-30(10-8-29)14(2)19-26-17(28-32-19)15-4-3-5-16(12-15)21(22,23)24/h3-6,11-14H,7-10H2,1-2H3,(H,25,27,31)
InChIKeyCUYTYQGVEZZBAA-UHFFFAOYSA-N
XLogP3.92
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.92
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]propanamide?
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]propanamide (CID 55838628) is N-(1,3-thiazol-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide.
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]propanamide?
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]propanamide is CC(C(=O)Nc1nccs1)N1CCN(C(C)c2nc(-c3cccc(C(F)(F)F)c3)no2)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]propanamide?
The InChIKey is CUYTYQGVEZZBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N6O2S/c1-13(18(31)27-20-25-6-11-33-20)29-7-9-30(10-8-29)14(2)19-26-17(28-32-19)15-4-3-5-16(12-15)21(22,23)24/h3-6,11-14H,7-10H2,1-2H3,(H,25,27,31).
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]propanamide?
N-(1,3-thiazol-2-yl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide has a molecular weight of 480.52 g/mol, XLogP of 3.92, 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]propanamide is sourced from PubChem (CID 55838628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).