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

C23H19BrN4OS — CID 90725178

IUPACN-(3-bromo-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)cc1Br
InChIInChI=1S/C23H19BrN4OS/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)
InChIKeyZYDKBNIFRBBSGE-UHFFFAOYSA-N
MW479.40 g/mol
LogP6.64
Rot. Bonds5

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

N-(3-bromo-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide (PubChem CID 90725178) has the molecular formula C23H19BrN4OS and a molecular weight of 479.40 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide
PubChem CID90725178
Molecular FormulaC23H19BrN4OS
Molecular Weight479.40 g/mol
Exact Mass478.05
IUPAC NameN-(3-bromo-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)cc1Br
InChIInChI=1S/C23H19BrN4OS/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)
InChIKeyZYDKBNIFRBBSGE-UHFFFAOYSA-N
XLogP6.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.40
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide
CID 90739141
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
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
N-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide
CID 60730289
N-(3-bromo-4-methylphenyl)thiophene-3-carboxamide
CID 55027767
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
3-bromo-4-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 3376197
N-(3-bromo-4-methylphenyl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109241057
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

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide (CID 90725178) is N-(3-bromo-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide?
The canonical SMILES for N-(3-bromo-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)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide?
The InChIKey is ZYDKBNIFRBBSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4OS/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-bromo-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide?
N-(3-bromo-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide has a molecular weight of 479.40 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-4-methyl-3-[pyridin-4-yl(1,3-thiazol-2-yl)amino]benzamide is sourced from PubChem (CID 90725178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).