[3-(4-Benzyloxyphenyl)-[1,2,4]thiadiazol-5-yl]-methanol (HCID 59549522)

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Basic information

Standard SMILES: OCc1nc(-c2ccc(OCc3ccccc3)cc2)ns1
InChIKey: VALWAKMYMKSVRF-UHFFFAOYSA-N
Molecular formula: C16H14N2O2S
Average molar mass: 298.4 g/mol
Monoisotopic mass: 298.07759887

Names & identifiers

Preferred name: [3-(4-Benzyloxyphenyl)-[1,2,4]thiadiazol-5-yl]-methanol
IUPAC: [3-(4-phenylmethoxyphenyl)-1,2,4-thiadiazol-5-yl]methanol

Names & synonyms

SCHEMBL1425713VALWAKMYMKSVRF-UHFFFAOYSA-N[3-(4-Benzyloxyphenyl)-[1,2,4]thiadiazol-5-yl]-methanol[3-(4-Benzyloxyphenyl)-[1,2,4] thiadiazol-5-yl]-methanol

Database identifiers

PubChem CID: 59549522

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 83.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 21
Formal charge: 0
Complexity: 305

Related reactions

3 records

New reaction record

HRID 453106As productuspto-grants-2013_07

HRID 453107As reactantuspto-grants-2013_07

HRID 669627As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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