N-(2-fluoro-4-methylphenyl)-4-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide

C23H19FN4OS — CID 11774422

IUPACN-(2-fluoro-4-methylphenyl)-4-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(Nc3nc(-c4ccncc4)cs3)c2)c(F)c1
InChIInChI=1S/C23H19FN4OS/c1-14-3-6-19(18(24)11-14)26-22(29)17-5-4-15(2)20(12-17)27-23-28-21(13-30-23)16-7-9-25-10-8-16/h3-13H,1-2H3,(H,26,29)(H,27,28)
InChIKeyKEGNSSGMGGDGPU-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.96
Rot. Bonds5

About N-(2-fluoro-4-methylphenyl)-4-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide

N-(2-fluoro-4-methylphenyl)-4-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide (PubChem CID 11774422) has the molecular formula C23H19FN4OS and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-4-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-4-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
PubChem CID11774422
Molecular FormulaC23H19FN4OS
Molecular Weight418.50 g/mol
Exact Mass418.13
IUPAC NameN-(2-fluoro-4-methylphenyl)-4-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(Nc3nc(-c4ccncc4)cs3)c2)c(F)c1
InChIInChI=1S/C23H19FN4OS/c1-14-3-6-19(18(24)11-14)26-22(29)17-5-4-15(2)20(12-17)27-23-28-21(13-30-23)16-7-9-25-10-8-16/h3-13H,1-2H3,(H,26,29)(H,27,28)
InChIKeyKEGNSSGMGGDGPU-UHFFFAOYSA-N
XLogP5.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_M(1)', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 59651304
4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11385486
4-methyl-3-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzene-1,3-diamine
CID 82059283
4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 59662707
N-cyclopropyl-3-[[4-[3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]amino]-4-methylbenzamide
CID 141106921
4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
CID 55163065
1-(4-methylphenyl)-3-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]urea
CID 10432011
4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 10319726
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
3-acetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 87043271
N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide
CID 10478636
4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 22581409

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-4-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-4-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide (CID 11774422) is N-(2-fluoro-4-methylphenyl)-4-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-4-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-4-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide is Cc1ccc(NC(=O)c2ccc(C)c(Nc3nc(-c4ccncc4)cs3)c2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-4-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide?
The InChIKey is KEGNSSGMGGDGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4OS/c1-14-3-6-19(18(24)11-14)26-22(29)17-5-4-15(2)20(12-17)27-23-28-21(13-30-23)16-7-9-25-10-8-16/h3-13H,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-(2-fluoro-4-methylphenyl)-4-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide?
N-(2-fluoro-4-methylphenyl)-4-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide has a molecular weight of 418.50 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-4-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide is sourced from PubChem (CID 11774422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).