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

C22H20FN3O2S — CID 59785762

IUPAC2-fluoro-6-hydroxy-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
SMILESCC1=C(c2ccc(NC(=O)c3c(O)cccc3F)cc2)CN(c2nccs2)CC1
InChIInChI=1S/C22H20FN3O2S/c1-14-9-11-26(22-24-10-12-29-22)13-17(14)15-5-7-16(8-6-15)25-21(28)20-18(23)3-2-4-19(20)27/h2-8,10,12,27H,9,11,13H2,1H3,(H,25,28)
InChIKeyNFSJHICWLQLGTR-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.92
Rot. Bonds4

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

2-fluoro-6-hydroxy-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide (PubChem CID 59785762) has the molecular formula C22H20FN3O2S and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
PubChem CID59785762
Molecular FormulaC22H20FN3O2S
Molecular Weight409.49 g/mol
Exact Mass409.13
IUPAC Name2-fluoro-6-hydroxy-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
SMILESCC1=C(c2ccc(NC(=O)c3c(O)cccc3F)cc2)CN(c2nccs2)CC1
InChIInChI=1S/C22H20FN3O2S/c1-14-9-11-26(22-24-10-12-29-22)13-17(14)15-5-7-16(8-6-15)25-21(28)20-18(23)3-2-4-19(20)27/h2-8,10,12,27H,9,11,13H2,1H3,(H,25,28)
InChIKeyNFSJHICWLQLGTR-UHFFFAOYSA-N
XLogP4.92
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide?
The IUPAC name of 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) is 2-fluoro-6-hydroxy-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide is CC1=C(c2ccc(NC(=O)c3c(O)cccc3F)cc2)CN(c2nccs2)CC1.
What is the InChIKey of 2-fluoro-6-hydroxy-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide?
The InChIKey is NFSJHICWLQLGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2S/c1-14-9-11-26(22-24-10-12-29-22)13-17(14)15-5-7-16(8-6-15)25-21(28)20-18(23)3-2-4-19(20)27/h2-8,10,12,27H,9,11,13H2,1H3,(H,25,28).
What are the key properties of 2-fluoro-6-hydroxy-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide?
2-fluoro-6-hydroxy-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide has a molecular weight of 409.49 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide is sourced from PubChem (CID 59785762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).