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[4-(5-Pentyl-1,3,4-thiadiazol-2-yl)phenyl] hex-2-enoate (HCID 53979641)｜Huagongshe

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Compound

[4-(5-Pentyl-1,3,4-thiadiazol-2-yl)phenyl] hex-2-enoate

HCID 53979641

Notes Reactions

Basic information Names & identifiers Properties Related reactions Compound notes

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Basic information

Standard SMILES: CCCC=CC(=O)Oc1ccc(-c2nnc(CCCCC)s2)cc1
InChIKey: JXJMJKWYLXBOSH-UHFFFAOYSA-N
Molecular formula: C19H24N2O2S
Average molar mass: 344.5 g/mol

Names & identifiers

Preferred name: [4-(5-Pentyl-1,3,4-thiadiazol-2-yl)phenyl] hex-2-enoate
IUPAC: [4-(5-pentyl-1,3,4-thiadiazol-2-yl)phenyl] hex-2-enoate

Names & synonyms

SCHEMBL6662411

Database identifiers

PubChem CID: 53979641

Properties

Computed structural properties

XLogP: 5.8
Topological polar surface area: 80.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 10
Heavy atoms: 24
Formal charge: 0
Complexity: 395

Related reactions

1 records

New reaction record

HRID 1152762 reaction equation

HRID 1152762As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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