Phenyl 5-ethyl-1,3,4-thiadiazol-2-ylcarbamate

HCID 66876196

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCc1nnc(NC(=O)Oc2ccccc2)s1
InChIKey: AQVSVNPMMUQBOB-UHFFFAOYSA-N
Molecular formula: C11H11N3O2S
Average molar mass: 249.29 g/mol

Names & identifiers

Preferred name: Phenyl 5-ethyl-1,3,4-thiadiazol-2-ylcarbamate
IUPAC: phenyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate

Names & synonyms

phenyl 5-ethyl-1,3,4-thiadiazol-2-ylcarbamateSCHEMBL1011592AQVSVNPMMUQBOB-UHFFFAOYSA-N606129-66-2DB-343968(5-Ethyl-[1,3,4]thiadiazol-2-yl)-carbamic acid phenyl ester

Database identifiers

PubChem CID: 66876196

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 92.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 259

Related reactions

10 records

New reaction record

HRID 141157As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 175522As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 822792As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 933897As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1182118As productuspto-grants-2007_10

HRID 1182137As reactantuspto-grants-2007_10

HRID 1182152As reactantuspto-grants-2007_10

HRID 1182153As reactantuspto-grants-2007_10

Compound notes

Loading…