3-Thiazolidinepropanamide, 2-((2-methoxyphenoxy)methyl)-beta-oxo-N-(4-pyridinylmethyl)-, hydrochloride, hydrate (1:1:1)

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Basic information

CAS: 161364-77-8
Standard SMILES: COc1ccccc1OCC1SCCN1C(=O)CC(=O)NCc1ccncc1.Cl
InChIKey: MVNMMDVUHKIADB-UHFFFAOYSA-N
Molecular formula: C20H24ClN3O4S
Average molar mass: 437.9 g/mol
Monoisotopic mass: 437.1176051

Names & identifiers

Preferred name: 3-Thiazolidinepropanamide, 2-((2-methoxyphenoxy)methyl)-beta-oxo-N-(4-pyridinylmethyl)-, hydrochloride, hydrate (1:1:1)
IUPAC: 3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-oxo-N-(pyridin-4-ylmethyl)propanamide;hydrochloride
English name: 3-Thiazolidinepropanamide, 2-((2-methoxyphenoxy)methyl)-beta-oxo-N-(4- pyridinylmethyl)-, hydrochloride, hydrate (1:1:1)
Molecular formula: C20H23N3O4S.ClH.H2O
Molecular weight: 455.96

Names & synonyms

161364-77-83-Thiazolidinepropanamide, 2-((2-methoxyphenoxy)methyl)-beta-oxo-N-(4-pyridinylmethyl)-, hydrochloride, hydrate (1:1:1)RefChem:282716CHEMBL539059DTXSID009365123-{2-[(2-Methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl}-3-oxo-N-[(pyridin-4-yl)methyl]propanimidic acid--hydrogen chloride (1/1)3-Thiazolidinepropanamide, 2-((2-methoxyphenoxy)methyl)-beta-oxo-N-(4- pyridinylmethyl)-, hydrochloride, hydrate (1:1:1)

Database identifiers

CAS: 161364-77-8
PubChem CID: 3074765
DTXSID: DTXSID00936512
ChEMBL: CHEMBL539059

Properties

Computed structural properties

Topological polar surface area: 106 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 29
Formal charge: 0
Complexity: 516

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Compound notes

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