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N-(6-chloro-2-morpholinopyrimidin-4-yl)-4-phenylthiazol-2-amine

HCID 59507613
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Clc1cc(Nc2nc(-c3ccccc3)cs2)nc(N2CCOCC2)n1
InChIKey
QMTSESWVIGEAST-UHFFFAOYSA-N
Molecular formula
C17H16ClN5OS
Average molar mass
373.9 g/mol

Names & identifiers

Preferred name
N-(6-chloro-2-morpholinopyrimidin-4-yl)-4-phenylthiazol-2-amine
IUPAC
N-(6-chloro-2-morpholin-4-ylpyrimidin-4-yl)-4-phenyl-1,3-thiazol-2-amine

Names & synonyms

SCHEMBL2813520QMTSESWVIGEAST-UHFFFAOYSA-NN-(6-chloro-2-morpholinopyrimidin-4-yl)-4-phenylthiazol-2-amine

Database identifiers

PubChem CID
59507613

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
91.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
25
Formal charge
0
Complexity
422

Related reactions

3 records
New reaction record
HRID 1043821 reaction equation
HRID 1043821As reactantuspto-grants-2013_10
HRID 1512152 reaction equation
HRID 1512152As reactantuspto-grants-2012_07
HRID 2133131 reaction equation
HRID 2133131As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes