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

C22H20FN3OS — CID 45109849

IUPAC2-fluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
SMILESCC1=C(c2ccc(NC(=O)c3ccccc3F)cc2)CN(c2nccs2)CC1
InChIInChI=1S/C22H20FN3OS/c1-15-10-12-26(22-24-11-13-28-22)14-19(15)16-6-8-17(9-7-16)25-21(27)18-4-2-3-5-20(18)23/h2-9,11,13H,10,12,14H2,1H3,(H,25,27)
InChIKeyXUELSASGNMTYTK-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.22
Rot. Bonds4

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

2-fluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide (PubChem CID 45109849) has the molecular formula C22H20FN3OS and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-fluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
PubChem CID45109849
Molecular FormulaC22H20FN3OS
Molecular Weight393.49 g/mol
Exact Mass393.13
IUPAC Name2-fluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
SMILESCC1=C(c2ccc(NC(=O)c3ccccc3F)cc2)CN(c2nccs2)CC1
InChIInChI=1S/C22H20FN3OS/c1-15-10-12-26(22-24-11-13-28-22)14-19(15)16-6-8-17(9-7-16)25-21(27)18-4-2-3-5-20(18)23/h2-9,11,13H,10,12,14H2,1H3,(H,25,27)
InChIKeyXUELSASGNMTYTK-UHFFFAOYSA-N
XLogP5.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-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-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide (CID 45109849) is 2-fluoro-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-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-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)c3ccccc3F)cc2)CN(c2nccs2)CC1.
What is the InChIKey of 2-fluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide?
The InChIKey is XUELSASGNMTYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3OS/c1-15-10-12-26(22-24-11-13-28-22)14-19(15)16-6-8-17(9-7-16)25-21(27)18-4-2-3-5-20(18)23/h2-9,11,13H,10,12,14H2,1H3,(H,25,27).
What are the key properties of 2-fluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide?
2-fluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide has a molecular weight of 393.49 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide is sourced from PubChem (CID 45109849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).