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

C19H10F5N5OS — CID 118009630

IUPAC2,6-difluoro-N-[5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-c2cn(-c3nccs3)nc2C(F)(F)F)cn1)c1c(F)cccc1F
InChIInChI=1S/C19H10F5N5OS/c20-12-2-1-3-13(21)15(12)17(30)27-14-5-4-10(8-26-14)11-9-29(18-25-6-7-31-18)28-16(11)19(22,23)24/h1-9H,(H,26,27,30)
InChIKeyBZYLVEDPMFLEEK-UHFFFAOYSA-N
MW451.38 g/mol
LogP4.94
Rot. Bonds4

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

2,6-difluoro-N-[5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]benzamide (PubChem CID 118009630) has the molecular formula C19H10F5N5OS and a molecular weight of 451.38 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]benzamide
PubChem CID118009630
Molecular FormulaC19H10F5N5OS
Molecular Weight451.38 g/mol
Exact Mass451.05
IUPAC Name2,6-difluoro-N-[5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-c2cn(-c3nccs3)nc2C(F)(F)F)cn1)c1c(F)cccc1F
InChIInChI=1S/C19H10F5N5OS/c20-12-2-1-3-13(21)15(12)17(30)27-14-5-4-10(8-26-14)11-9-29(18-25-6-7-31-18)28-16(11)19(22,23)24/h1-9H,(H,26,27,30)
InChIKeyBZYLVEDPMFLEEK-UHFFFAOYSA-N
XLogP4.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.38
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]benzamide (CID 118009630) is 2,6-difluoro-N-[5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]benzamide is O=C(Nc1ccc(-c2cn(-c3nccs3)nc2C(F)(F)F)cn1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]benzamide?
The InChIKey is BZYLVEDPMFLEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F5N5OS/c20-12-2-1-3-13(21)15(12)17(30)27-14-5-4-10(8-26-14)11-9-29(18-25-6-7-31-18)28-16(11)19(22,23)24/h1-9H,(H,26,27,30).
What are the key properties of 2,6-difluoro-N-[5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]benzamide?
2,6-difluoro-N-[5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]benzamide has a molecular weight of 451.38 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 118009630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).