N-[4-(1,3-thiazol-2-yl)phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

C22H14F3N3O2S — CID 24529264

IUPACN-[4-(1,3-thiazol-2-yl)phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C22H14F3N3O2S/c23-22(24,25)16-5-10-19(27-13-16)30-18-8-3-14(4-9-18)20(29)28-17-6-1-15(2-7-17)21-26-11-12-31-21/h1-13H,(H,28,29)
InChIKeyUXAZKAKSEFTJLV-UHFFFAOYSA-N
MW441.43 g/mol
LogP6.27
Rot. Bonds5

About N-[4-(1,3-thiazol-2-yl)phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

N-[4-(1,3-thiazol-2-yl)phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (PubChem CID 24529264) has the molecular formula C22H14F3N3O2S and a molecular weight of 441.43 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-yl)phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-yl)phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
PubChem CID24529264
Molecular FormulaC22H14F3N3O2S
Molecular Weight441.43 g/mol
Exact Mass441.08
IUPAC NameN-[4-(1,3-thiazol-2-yl)phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C22H14F3N3O2S/c23-22(24,25)16-5-10-19(27-13-16)30-18-8-3-14(4-9-18)20(29)28-17-6-1-15(2-7-17)21-26-11-12-31-21/h1-13H,(H,28,29)
InChIKeyUXAZKAKSEFTJLV-UHFFFAOYSA-N
XLogP6.27
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.43
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-thiazol-2-yl)phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The IUPAC name of N-[4-(1,3-thiazol-2-yl)phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (CID 24529264) is N-[4-(1,3-thiazol-2-yl)phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-[4-(1,3-thiazol-2-yl)phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The canonical SMILES for N-[4-(1,3-thiazol-2-yl)phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of N-[4-(1,3-thiazol-2-yl)phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The InChIKey is UXAZKAKSEFTJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F3N3O2S/c23-22(24,25)16-5-10-19(27-13-16)30-18-8-3-14(4-9-18)20(29)28-17-6-1-15(2-7-17)21-26-11-12-31-21/h1-13H,(H,28,29).
What are the key properties of N-[4-(1,3-thiazol-2-yl)phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
N-[4-(1,3-thiazol-2-yl)phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide has a molecular weight of 441.43 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-thiazol-2-yl)phenyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 24529264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).