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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Related Compounds

2,6-difluoro-N-[3-fluoro-4-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]benzamide
CID 118010088
N-[5-[3-cyclopropyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]-2,3,6-trifluorobenzamide
CID 118009659
2-fluoro-6-methyl-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]pyrazin-2-yl]benzamide
CID 118009556
5-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]pyridin-2-amine
CID 118016478
N-[5-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]-2-pyridinyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 25181726
2,6-difluoro-N-[5-(6-methylpyrazolo[1,5-a]pyridin-5-yl)-2-pyridinyl]benzamide
CID 58487449
N-[5-(2,2-dihydroxy-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,6-difluorobenzamide
CID 123737988
2,3,6-trifluoro-N-[5-[3-methyl-1-(5-methyl-1,3-thiazol-2-yl)pyrazol-4-yl]-2-pyridinyl]benzamide
CID 118010169
methyl 3-[6-[(2,6-difluorobenzoyl)amino]-3-pyridinyl]-4-methylbenzoate
CID 24775151
2-fluoro-N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]benzamide
CID 118009587
2,6-difluoro-N-[5-(5-methyl-1H-indazol-6-yl)-2-pyridinyl]benzamide
CID 58487264
2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-2-pyridinyl]benzamide;5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)pyridin-2-amine
CID 159159544

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).