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2-(2,3-dihydroxypropoxy)-N-hex-5-enyl-1,3-thiazole-5-carboxamide

HCID 21392781
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
C=CCCCCNC(=O)c1cnc(OCC(O)CO)s1
InChIKey
QJEVDCLWQQFRQP-UHFFFAOYSA-N
Molecular formula
C13H20N2O4S
Average molar mass
300.38 g/mol

Names & identifiers

Preferred name
2-(2,3-dihydroxypropoxy)-N-hex-5-enyl-1,3-thiazole-5-carboxamide
IUPAC
2-(2,3-dihydroxypropoxy)-N-hex-5-enyl-1,3-thiazole-5-carboxamide

Names & synonyms

SCHEMBL11738318

Database identifiers

PubChem CID
21392781

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
120 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
20
Formal charge
0
Complexity
304

Related reactions

1 records
New reaction record
HRID 2154445 reaction equation
HRID 2154445As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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