1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one

C13H23N3O2S — CID 135429273

IUPAC1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one
SMILESCC/N=C1/NC(C)C(C(=O)CCN2CCOCC2)S1
InChIInChI=1S/C13H23N3O2S/c1-3-14-13-15-10(2)12(19-13)11(17)4-5-16-6-8-18-9-7-16/h10,12H,3-9H2,1-2H3,(H,14,15)
InChIKeyZDTGMLIKPAEBNR-UHFFFAOYSA-N
MW285.41 g/mol
LogP0.75
Rot. Bonds5

About 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one

1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one (PubChem CID 135429273) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one
PubChem CID135429273
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one
SMILESCC/N=C1/NC(C)C(C(=O)CCN2CCOCC2)S1
InChIInChI=1S/C13H23N3O2S/c1-3-14-13-15-10(2)12(19-13)11(17)4-5-16-6-8-18-9-7-16/h10,12H,3-9H2,1-2H3,(H,14,15)
InChIKeyZDTGMLIKPAEBNR-UHFFFAOYSA-N
XLogP0.75
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one (CID 135429273) is 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one is CC/N=C1/NC(C)C(C(=O)CCN2CCOCC2)S1.
What is the InChIKey of 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one?
The InChIKey is ZDTGMLIKPAEBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-3-14-13-15-10(2)12(19-13)11(17)4-5-16-6-8-18-9-7-16/h10,12H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one?
1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one has a molecular weight of 285.41 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 135429273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).