2-(2-Methoxyphenyl)-5-methyl-2,5-dihydro-1,3-thiazol-4-ol

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Basic information

CAS: 82697-74-3
Standard SMILES: COc1ccccc1C1NC(=O)C(C)S1
InChIKey: ONARVZUZXPSUJA-UHFFFAOYSA-N
Molecular formula: C11H13NO2S
Average molar mass: 223.29 g/mol
Monoisotopic mass: 223.06669983

Names & identifiers

Preferred name: 2-(2-Methoxyphenyl)-5-methyl-2,5-dihydro-1,3-thiazol-4-ol
IUPAC: 2-(2-methoxyphenyl)-5-methyl-1,3-thiazolidin-4-one
English name: 4-Thiazolidinone, 2-(2-methoxyphenyl)-5-methyl-
Molecular weight: 0

Names & synonyms

82697-74-3DTXSID6010028492-(2-Methoxyphenyl)-5-methyl-2,5-dihydro-1,3-thiazol-4-olRefChem:1060896DTXCID4014297782-(2-Methoxyphenyl)-5-methylthiazolidine-4-one2-(2-Methoxyphenyl)-5-methyl-4-thiazolidinone4-Thiazolidinone, 2-(2-methoxyphenyl)-5-methyl-SCHEMBL10970113ONARVZUZXPSUJA-UHFFFAOYSA-N

Database identifiers

CAS: 82697-74-3
PubChem CID: 3068034
DTXSID: DTXSID601002849

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 247

Physicochemical properties

EWG's Food Scores: 1 · 1

Related reactions

2 records

New reaction record

HRID 1388899As productuspto-grants-1984_02

HRID 2328320As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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