N-methyl-4-(2-(4-((4-methylpiperazin-1-yl)methyl)benzylamino)benzo[d]thiazol-6-yloxy)picolinamide

HCID 57725947
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Basic information

Standard SMILES
CNC(=O)c1cc(Oc2ccc3nc(NCc4ccc(CN5CCN(C)CC5)cc4)sc3c2)ccn1
InChIKey
VDDQJURFRUPQIF-UHFFFAOYSA-N
Molecular formula
C27H30N6O2S
Average molar mass
502.6 g/mol
Monoisotopic mass
502.21509539

Names & identifiers

Preferred name
N-methyl-4-(2-(4-((4-methylpiperazin-1-yl)methyl)benzylamino)benzo[d]thiazol-6-yloxy)picolinamide
IUPAC
N-methyl-4-[[2-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide

Names & synonyms

SCHEMBL2676705VDDQJURFRUPQIF-UHFFFAOYSA-NN-methyl-4-(2-(4-((4-methylpiperazin-1-yl)methyl)benzylamino)benzo[d]thiazol-6-yloxy)picolinamide

Database identifiers

PubChem CID
57725947

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
111 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
36

Related reactions

4 records
New reaction record

Linked notes

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