4-Methyl-2-phenoxy-thiazole-5-carboxylic acid ethyl ester (HCID 57665484)

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)c1sc(Oc2ccccc2)nc1C
InChIKey: MOCLDAOQYVNOSS-UHFFFAOYSA-N
Molecular formula: C13H13NO3S
Average molar mass: 263.31 g/mol

Names & identifiers

Preferred name: 4-Methyl-2-phenoxy-thiazole-5-carboxylic acid ethyl ester
IUPAC: ethyl 4-methyl-2-phenoxy-1,3-thiazole-5-carboxylate

Names & synonyms

SCHEMBL2885006MOCLDAOQYVNOSS-UHFFFAOYSA-N4-Methyl-2-phenoxy-thiazole-5-carboxylic acid ethyl esterEthyl 4-methyl-2-(phenyloxy)-1,3-thiazole-5-carboxylate

Database identifiers

PubChem CID: 57665484

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 76.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 281

Related reactions

8 records

New reaction record

HRID 642303As productuspto-grants-2010_04

HRID 642304As reactantuspto-grants-2010_04

HRID 942084As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1114384As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1134220As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1173039As productuspto-grants-2010_11

HRID 1173040As reactantuspto-grants-2010_11

HRID 2322388As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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