chempirical

4-((2-(((1R,2R)-2-Hydroxycyclohexyl)amino)benzo[D]thiazol-6-yl)oxy)-N-methylpicolinamide

C20H22N4O3SCAS 953769-46-5398.48 g/mol

Open in Covalent MOL file
NHONONSNHHO
AlcoholAmideEtherSecondary amine

Properties

Molecular formula
C20H22N4O3S
Molar mass
398.48 g/mol
Exact mass
398.1413 Da
logP
3.56Crippen estimate
Polar surface area
96.4 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
5
Stereocentres
R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
953769-46-5
SMILES
CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N=C(S3)N[C@@H]4CCCC[C@H]4O
InChIKey
ADZBMFGQQWPHMJ-RHSMWYFYSA-N
InChI
InChI=1S/C20H22N4O3S/c1-21-19(26)16-10-13(8-9-22-16)27-12-6-7-15-18(11-12)28-20(24-15)23-14-4-2-3-5-17(14)25/h6-11,14,17,25H,2-5H2,1H3,(H,21,26)(H,23,24)/t14-,17-/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • Sotuletinib

Work with 4-((2-(((1R,2R)-2-Hydroxycyclohexyl)amino)benzo[D]thiazol-6-yl)oxy)-N-methylpicolinamide

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

4-(4-Aminophenoxy)-N-methylpicolinamide284462-37-946 % similar 4-(4-Amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide757251-39-143 % similar 4-Chloro-N-methylpicolinamide220000-87-336 % similar Sorafenib284461-73-036 % similar 2-Pyridinecarboxamide, 4-chloro-N-methyl-, hydrochloride (1:1)882167-77-335 % similar Regorafenib755037-03-734 % similar 2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-, hydrochloride (1:1)835621-07-333 % similar Regorafenib monohydrate1019206-88-233 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook