chempirical

Masitinib

C28H30N6OSCAS 790299-79-5498.65 g/mol

Open in Covalent MOL file
NHONNNNHNS
AmideTertiary amine

Properties

Molecular formula
C28H30N6OS
Molar mass
498.65 g/mol
Exact mass
498.2202 Da
logP
4.68Crippen estimate
Polar surface area
76.6 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
6

Identifiers

CAS number
790299-79-5
SMILES
Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1N=c1[nH]c(-c2cccnc2)cs1
InChIKey
WJEOLQLKVOPQFV-UHFFFAOYSA-N
InChI
InChI=1S/C28H30N6OS/c1-20-5-10-24(16-25(20)31-28-32-26(19-36-28)23-4-3-11-29-17-23)30-27(35)22-8-6-21(7-9-22)18-34-14-12-33(2)13-15-34/h3-11,16-17,19H,12-15,18H2,1-2H3,(H,30,35)(H,31,32)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Benzamide, 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-thiazolyl]amino]phenyl]-
  • 4-[(4-Methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-thiazolyl]amino]phenyl]benzamide
  • Masiviera
  • Masican

Work with Masitinib

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Imatinib152459-95-559 % similar Imatinib mesylate220127-57-155 % similar N-[3-[(Aminoiminomethyl)amino]-4-methylphenyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide581076-65-549 % similar Ponatinib hydrochloride1114544-31-838 % similar Ponatinib943319-70-838 % similar 4-[(4-Methyl-1-piperazinyl)methyl]benzoic acid dihydrochloride106261-49-833 % similar 4-(4-Methylpiperazinylmethyl)benzoyl chloride dihydrochloride106261-64-733 % similar 4-(4-Methyl-1-piperazinylmethyl)benzoic acid106261-48-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook