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

C23H19FN4OS — CID 90739141

IUPACN-(3-fluoro-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(N(c3ccncc3)c3nccs3)c2)cc1F
InChIInChI=1S/C23H19FN4OS/c1-15-4-6-18(14-20(15)24)27-22(29)17-5-3-16(2)21(13-17)28(23-26-11-12-30-23)19-7-9-25-10-8-19/h3-14H,1-2H3,(H,27,29)
InChIKeySFRAVZOVWLYYGS-UHFFFAOYSA-N
MW418.50 g/mol
LogP6.02
Rot. Bonds5

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

N-(3-fluoro-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide (PubChem CID 90739141) has the molecular formula C23H19FN4OS and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide
PubChem CID90739141
Molecular FormulaC23H19FN4OS
Molecular Weight418.50 g/mol
Exact Mass418.13
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(N(c3ccncc3)c3nccs3)c2)cc1F
InChIInChI=1S/C23H19FN4OS/c1-15-4-6-18(14-20(15)24)27-22(29)17-5-3-16(2)21(13-17)28(23-26-11-12-30-23)19-7-9-25-10-8-19/h3-14H,1-2H3,(H,27,29)
InChIKeySFRAVZOVWLYYGS-UHFFFAOYSA-N
XLogP6.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(3-bromo-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide
CID 90725178
3-bromo-N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 91248668
N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 91153862
[4-[[4-methyl-3-[4-pyridin-3-yl-N-(1,3-thiazol-2-yl)anilino]phenyl]carbamoyl]phenyl] thiophene-2-sulfonate
CID 87813326
4-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730089
4-ethoxy-N-(3-fluoro-4-methylphenyl)benzamide
CID 2969739
N-(3-bromo-4-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 115661442
methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31809423
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[pyridin-4-yl(pyrimidin-2-yl)amino]benzamide
CID 174645654
N-cyclohexyl-N-[cyclohexyl-[[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]carbamoyl]amino]formamide
CID 87762473
4-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
CID 91345403
4-cyano-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
CID 90975306

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide (CID 90739141) is N-(3-fluoro-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide is Cc1ccc(NC(=O)c2ccc(C)c(N(c3ccncc3)c3nccs3)c2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide?
The InChIKey is SFRAVZOVWLYYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4OS/c1-15-4-6-18(14-20(15)24)27-22(29)17-5-3-16(2)21(13-17)28(23-26-11-12-30-23)19-7-9-25-10-8-19/h3-14H,1-2H3,(H,27,29).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide?
N-(3-fluoro-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide has a molecular weight of 418.50 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide is sourced from PubChem (CID 90739141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).