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

C20H15F3N4O2S2 — CID 24573147

IUPAC3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H15F3N4O2S2/c21-20(22,23)14-3-1-2-12(8-14)9-15-10-24-19(31-15)25-16(28)4-5-17-26-18(27-29-17)13-6-7-30-11-13/h1-3,6-8,10-11H,4-5,9H2,(H,24,25,28)
InChIKeyBOFMYIDPYPZRRX-UHFFFAOYSA-N
MW464.49 g/mol
LogP5.44
Rot. Bonds7

About 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide

3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 24573147) has the molecular formula C20H15F3N4O2S2 and a molecular weight of 464.49 g/mol. Its IUPAC name is 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID24573147
Molecular FormulaC20H15F3N4O2S2
Molecular Weight464.49 g/mol
Exact Mass464.06
IUPAC Name3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1nc(-c2ccsc2)no1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H15F3N4O2S2/c21-20(22,23)14-3-1-2-12(8-14)9-15-10-24-19(31-15)25-16(28)4-5-17-26-18(27-29-17)13-6-7-30-11-13/h1-3,6-8,10-11H,4-5,9H2,(H,24,25,28)
InChIKeyBOFMYIDPYPZRRX-UHFFFAOYSA-N
XLogP5.44
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide (CID 24573147) is 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide is O=C(CCc1nc(-c2ccsc2)no1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is BOFMYIDPYPZRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2S2/c21-20(22,23)14-3-1-2-12(8-14)9-15-10-24-19(31-15)25-16(28)4-5-17-26-18(27-29-17)13-6-7-30-11-13/h1-3,6-8,10-11H,4-5,9H2,(H,24,25,28).
What are the key properties of 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide?
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 464.49 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 24573147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).