2,6-difluoro-N-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide

C20H10F5N3O2S — CID 24765582

IUPAC2,6-difluoro-N-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2cnco2)c(-c2cccc(C(F)(F)F)c2)s1)c1c(F)cccc1F
InChIInChI=1S/C20H10F5N3O2S/c21-12-5-2-6-13(22)15(12)18(29)28-19-27-16(14-8-26-9-30-14)17(31-19)10-3-1-4-11(7-10)20(23,24)25/h1-9H,(H,27,28,29)
InChIKeyNYZMPLCWTQKRJK-UHFFFAOYSA-N
MW451.38 g/mol
LogP6.01
Rot. Bonds4

About 2,6-difluoro-N-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide

2,6-difluoro-N-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 24765582) has the molecular formula C20H10F5N3O2S and a molecular weight of 451.38 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
PubChem CID24765582
Molecular FormulaC20H10F5N3O2S
Molecular Weight451.38 g/mol
Exact Mass451.04
IUPAC Name2,6-difluoro-N-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2cnco2)c(-c2cccc(C(F)(F)F)c2)s1)c1c(F)cccc1F
InChIInChI=1S/C20H10F5N3O2S/c21-12-5-2-6-13(22)15(12)18(29)28-19-27-16(14-8-26-9-30-14)17(31-19)10-3-1-4-11(7-10)20(23,24)25/h1-9H,(H,27,28,29)
InChIKeyNYZMPLCWTQKRJK-UHFFFAOYSA-N
XLogP6.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.38
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide (CID 24765582) is 2,6-difluoro-N-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2cnco2)c(-c2cccc(C(F)(F)F)c2)s1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is NYZMPLCWTQKRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F5N3O2S/c21-12-5-2-6-13(22)15(12)18(29)28-19-27-16(14-8-26-9-30-14)17(31-19)10-3-1-4-11(7-10)20(23,24)25/h1-9H,(H,27,28,29).
What are the key properties of 2,6-difluoro-N-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
2,6-difluoro-N-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 451.38 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-(1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 24765582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).