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

C23H22FN3OS — CID 70451249

IUPAC2-fluoro-4-methyl-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
SMILESCC1=C(c2ccc(NC(=O)c3ccc(C)cc3F)cc2)CN(c2nccs2)CC1
InChIInChI=1S/C23H22FN3OS/c1-15-3-8-19(21(24)13-15)22(28)26-18-6-4-17(5-7-18)20-14-27(11-9-16(20)2)23-25-10-12-29-23/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,26,28)
InChIKeyVZTOEMIQAXQIMM-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.53
Rot. Bonds4

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

2-fluoro-4-methyl-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide (PubChem CID 70451249) has the molecular formula C23H22FN3OS and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
PubChem CID70451249
Molecular FormulaC23H22FN3OS
Molecular Weight407.51 g/mol
Exact Mass407.15
IUPAC Name2-fluoro-4-methyl-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
SMILESCC1=C(c2ccc(NC(=O)c3ccc(C)cc3F)cc2)CN(c2nccs2)CC1
InChIInChI=1S/C23H22FN3OS/c1-15-3-8-19(21(24)13-15)22(28)26-18-6-4-17(5-7-18)20-14-27(11-9-16(20)2)23-25-10-12-29-23/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,26,28)
InChIKeyVZTOEMIQAXQIMM-UHFFFAOYSA-N
XLogP5.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 45109849
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
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
N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]propanamide
CID 157313637
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-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 62511266
N-[4-[1-(3-cyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide
CID 66744848
N-[4-[1-(2-ethyltetrazol-5-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,5-dimethylpyridine-4-carboxamide
CID 69280959
(2-hydroxy-4-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 29031368
(2-bromo-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 80973187
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-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 84574699

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-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-4-methyl-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide (CID 70451249) is 2-fluoro-4-methyl-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-4-methyl-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-4-methyl-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)c3ccc(C)cc3F)cc2)CN(c2nccs2)CC1.
What is the InChIKey of 2-fluoro-4-methyl-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide?
The InChIKey is VZTOEMIQAXQIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3OS/c1-15-3-8-19(21(24)13-15)22(28)26-18-6-4-17(5-7-18)20-14-27(11-9-16(20)2)23-25-10-12-29-23/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,26,28).
What are the key properties of 2-fluoro-4-methyl-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide?
2-fluoro-4-methyl-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide has a molecular weight of 407.51 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide is sourced from PubChem (CID 70451249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).