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(2-Tritylaminothiazol-4-yl)methoxyamine

HCID 21285079
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NOCc1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIKey
QNXCVTXCQOTVAA-UHFFFAOYSA-N
Molecular formula
C23H21N3OS
Average molar mass
387.5 g/mol
Monoisotopic mass
387.14053348

Names & identifiers

Preferred name
(2-Tritylaminothiazol-4-yl)methoxyamine
IUPAC
O-[[2-(tritylamino)-1,3-thiazol-4-yl]methyl]hydroxylamine

Names & synonyms

SCHEMBL9813319QNXCVTXCQOTVAA-UHFFFAOYSA-N(2-tritylaminothiazol-4-yl)methoxyamine

Database identifiers

PubChem CID
21285079

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
88.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
28
Formal charge
0
Complexity
413

Related reactions

4 records
New reaction record
HRID 152778 reaction equation
HRID 152778As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 692718 reaction equation
HRID 692718As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2231986 reaction equation
HRID 2231986As productuspto-grants-1988_11
HRID 2231987 reaction equation
HRID 2231987As reactantuspto-grants-1988_11

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes