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

C17H14F3N5O2S — CID 71784147

IUPACN-(1,3-thiazol-2-yl)-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
SMILESO=C(CN1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)Nc1nccs1
InChIInChI=1S/C17H14F3N5O2S/c18-17(19,20)12-3-1-2-10(6-12)14-23-15(27-24-14)11-7-25(8-11)9-13(26)22-16-21-4-5-28-16/h1-6,11H,7-9H2,(H,21,22,26)
InChIKeyRSSPYXVMEQXIDP-UHFFFAOYSA-N
MW409.39 g/mol
LogP3.25
Rot. Bonds5

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

N-(1,3-thiazol-2-yl)-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide (PubChem CID 71784147) has the molecular formula C17H14F3N5O2S and a molecular weight of 409.39 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
PubChem CID71784147
Molecular FormulaC17H14F3N5O2S
Molecular Weight409.39 g/mol
Exact Mass409.08
IUPAC NameN-(1,3-thiazol-2-yl)-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
SMILESO=C(CN1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)Nc1nccs1
InChIInChI=1S/C17H14F3N5O2S/c18-17(19,20)12-3-1-2-10(6-12)14-23-15(27-24-14)11-7-25(8-11)9-13(26)22-16-21-4-5-28-16/h1-6,11H,7-9H2,(H,21,22,26)
InChIKeyRSSPYXVMEQXIDP-UHFFFAOYSA-N
XLogP3.25
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide (CID 71784147) is N-(1,3-thiazol-2-yl)-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide is O=C(CN1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide?
The InChIKey is RSSPYXVMEQXIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2S/c18-17(19,20)12-3-1-2-10(6-12)14-23-15(27-24-14)11-7-25(8-11)9-13(26)22-16-21-4-5-28-16/h1-6,11H,7-9H2,(H,21,22,26).
What are the key properties of N-(1,3-thiazol-2-yl)-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide?
N-(1,3-thiazol-2-yl)-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide has a molecular weight of 409.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide is sourced from PubChem (CID 71784147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).