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

C23H14F5N3O2S — CID 24765681

IUPAC2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(O)c2ccccn2)c(-c2cccc(C(F)(F)F)c2)s1)c1c(F)cccc1F
InChIInChI=1S/C23H14F5N3O2S/c24-14-7-4-8-15(25)17(14)21(33)31-22-30-18(19(32)16-9-1-2-10-29-16)20(34-22)12-5-3-6-13(11-12)23(26,27)28/h1-11,19,32H,(H,30,31,33)
InChIKeyCMYZMDGOMAPDNQ-UHFFFAOYSA-N
MW491.44 g/mol
LogP5.84
Rot. Bonds5

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

2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 24765681) has the molecular formula C23H14F5N3O2S and a molecular weight of 491.44 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
PubChem CID24765681
Molecular FormulaC23H14F5N3O2S
Molecular Weight491.44 g/mol
Exact Mass491.07
IUPAC Name2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(O)c2ccccn2)c(-c2cccc(C(F)(F)F)c2)s1)c1c(F)cccc1F
InChIInChI=1S/C23H14F5N3O2S/c24-14-7-4-8-15(25)17(14)21(33)31-22-30-18(19(32)16-9-1-2-10-29-16)20(34-22)12-5-3-6-13(11-12)23(26,27)28/h1-11,19,32H,(H,30,31,33)
InChIKeyCMYZMDGOMAPDNQ-UHFFFAOYSA-N
XLogP5.84
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.44
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide (CID 24765681) is 2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(C(O)c2ccccn2)c(-c2cccc(C(F)(F)F)c2)s1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is CMYZMDGOMAPDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F5N3O2S/c24-14-7-4-8-15(25)17(14)21(33)31-22-30-18(19(32)16-9-1-2-10-29-16)20(34-22)12-5-3-6-13(11-12)23(26,27)28/h1-11,19,32H,(H,30,31,33).
What are the key properties of 2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide?
2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 491.44 g/mol, XLogP of 5.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[hydroxy(pyridin-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 24765681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).