2,4,6-trifluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride

C22H19ClF3N3OS — CID 67159289

IUPAC2,4,6-trifluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride
SMILESCC1=C(c2ccc(NC(=O)c3c(F)cc(F)cc3F)cc2)CN(c2nccs2)CC1.Cl
InChIInChI=1S/C22H18F3N3OS.ClH/c1-13-6-8-28(22-26-7-9-30-22)12-17(13)14-2-4-16(5-3-14)27-21(29)20-18(24)10-15(23)11-19(20)25;/h2-5,7,9-11H,6,8,12H2,1H3,(H,27,29);1H
InChIKeyAIOQDHXZDIMKEJ-UHFFFAOYSA-N
MW465.93 g/mol
LogP5.92
Rot. Bonds4

About 2,4,6-trifluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride

2,4,6-trifluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride (PubChem CID 67159289) has the molecular formula C22H19ClF3N3OS and a molecular weight of 465.93 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2,4,6-trifluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride
PubChem CID67159289
Molecular FormulaC22H19ClF3N3OS
Molecular Weight465.93 g/mol
Exact Mass465.09
IUPAC Name2,4,6-trifluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride
SMILESCC1=C(c2ccc(NC(=O)c3c(F)cc(F)cc3F)cc2)CN(c2nccs2)CC1.Cl
InChIInChI=1S/C22H18F3N3OS.ClH/c1-13-6-8-28(22-26-7-9-30-22)12-17(13)14-2-4-16(5-3-14)27-21(29)20-18(24)10-15(23)11-19(20)25;/h2-5,7,9-11H,6,8,12H2,1H3,(H,27,29);1H
InChIKeyAIOQDHXZDIMKEJ-UHFFFAOYSA-N
XLogP5.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.93
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-hydroxy-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 59785762
2-fluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 45109849
2-fluoro-4-methyl-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 70451249
N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]propanamide
CID 157313637
N-[4-[1-(3-cyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide
CID 66744848
N-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]-2,4-difluorobenzamide
CID 59785791
2,4-difluoro-N-methylaniline;1-methyl-5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carbaldehyde
CID 144982732
2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide
CID 65100671
2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 84534803
N-(4-bromophenyl)-2,4,6-trifluorobenzamide
CID 65098972
1-(2,6-difluorophenyl)-2-[4-(4-methyl-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone
CID 58110522
N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 45275151

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride?
The IUPAC name of 2,4,6-trifluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride (CID 67159289) is 2,4,6-trifluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 2,4,6-trifluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride?
The canonical SMILES for 2,4,6-trifluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride is CC1=C(c2ccc(NC(=O)c3c(F)cc(F)cc3F)cc2)CN(c2nccs2)CC1.Cl.
What is the InChIKey of 2,4,6-trifluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride?
The InChIKey is AIOQDHXZDIMKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3OS.ClH/c1-13-6-8-28(22-26-7-9-30-22)12-17(13)14-2-4-16(5-3-14)27-21(29)20-18(24)10-15(23)11-19(20)25;/h2-5,7,9-11H,6,8,12H2,1H3,(H,27,29);1H.
What are the key properties of 2,4,6-trifluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride?
2,4,6-trifluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride has a molecular weight of 465.93 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 67159289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).