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

C12H21N3O2S — CID 135508593

IUPAC1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one
SMILESC/N=C1/NC(C)C(C(=O)CCN2CCOCC2)S1
InChIInChI=1S/C12H21N3O2S/c1-9-11(18-12(13-2)14-9)10(16)3-4-15-5-7-17-8-6-15/h9,11H,3-8H2,1-2H3,(H,13,14)
InChIKeyDTVGFJQFZDMSSI-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.36
Rot. Bonds4

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

1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one (PubChem CID 135508593) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one
PubChem CID135508593
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one
SMILESC/N=C1/NC(C)C(C(=O)CCN2CCOCC2)S1
InChIInChI=1S/C12H21N3O2S/c1-9-11(18-12(13-2)14-9)10(16)3-4-15-5-7-17-8-6-15/h9,11H,3-8H2,1-2H3,(H,13,14)
InChIKeyDTVGFJQFZDMSSI-UHFFFAOYSA-N
XLogP0.36
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one
CID 11777242
3-(Diethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one
CID 135410249
1-(2-Ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one
CID 135429273
1-(2-Ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one
CID 135460743
3-(Diethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one
CID 135503555
1-(4-Methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one
CID 135511327

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one (CID 135508593) is 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one is C/N=C1/NC(C)C(C(=O)CCN2CCOCC2)S1.
What is the InChIKey of 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one?
The InChIKey is DTVGFJQFZDMSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9-11(18-12(13-2)14-9)10(16)3-4-15-5-7-17-8-6-15/h9,11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one?
1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one has a molecular weight of 271.39 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 135508593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).