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3-Amino-pyrrolidine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide

HCID 72489372
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ncnc2sc(NC(=O)N3CCC(N)C3)nc12
InChIKey
HHTGUWYUNFITPZ-UHFFFAOYSA-N
Molecular formula
C11H14N6O2S
Average molar mass
294.34 g/mol

Names & identifiers

Preferred name
3-Amino-pyrrolidine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
IUPAC
3-amino-N-(7-methoxy-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-1-carboxamide

Names & synonyms

SCHEMBL1760877HHTGUWYUNFITPZ-UHFFFAOYSA-N3-amino-pyrrolidine-1-carboxylic acid (7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide

Database identifiers

PubChem CID
72489372

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
135 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
20
Formal charge
0
Complexity
373

Related reactions

6 records
New reaction record
HRID 170365 reaction equation
HRID 170365As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 288316 reaction equation
HRID 288316As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 550828 reaction equation
HRID 550828As reactantuspto-grants-2011_05
HRID 550830 reaction equation
HRID 550830As reactantuspto-grants-2011_05
HRID 550831 reaction equation
HRID 550831As reactantuspto-grants-2011_05
HRID 1127012 reaction equation
HRID 1127012As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes