5-chloro-N-(2,4-dimethoxybenzyl)-1,3-thiazol-2-amine

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Basic information

Standard SMILES: COc1ccc(CNc2ncc(Cl)s2)c(OC)c1
InChIKey: CLGNEWJEAPOXDW-UHFFFAOYSA-N
Molecular formula: C12H13ClN2O2S
Average molar mass: 284.76 g/mol

Names & identifiers

Preferred name: 5-chloro-N-(2,4-dimethoxybenzyl)-1,3-thiazol-2-amine
IUPAC: 5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazol-2-amine

Names & synonyms

SCHEMBL1094314CLGNEWJEAPOXDW-UHFFFAOYSA-N1063733-38-9DB-188256N-(2,4-dimethoxybenzyl)-5-chlorothiazol-2-amine5-chloro-N-(2,4-dimethoxybenzyl)-1,3-thiazol-2-amine

Database identifiers

PubChem CID: 57732151

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 71.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 260

Related reactions

16 records

New reaction record

HRID 46296As reactantuspto-grants-2013_09

HRID 46297As productuspto-grants-2013_09

HRID 46327As reactantuspto-grants-2013_09

HRID 46350As reactantuspto-grants-2013_09

HRID 116353As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 201517As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 801670As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 953922As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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