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

C12H21N3OS — CID 135508590

IUPAC1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESC/N=C1/NC(C)C(C(=O)CCN2CCCC2)S1
InChIInChI=1S/C12H21N3OS/c1-9-11(17-12(13-2)14-9)10(16)5-8-15-6-3-4-7-15/h9,11H,3-8H2,1-2H3,(H,13,14)
InChIKeyRHDIAAFIQYQIIF-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.12
Rot. Bonds4

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

1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 135508590) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-pyrrolidin-1-ylpropan-1-one
PubChem CID135508590
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESC/N=C1/NC(C)C(C(=O)CCN2CCCC2)S1
InChIInChI=1S/C12H21N3OS/c1-9-11(17-12(13-2)14-9)10(16)5-8-15-6-3-4-7-15/h9,11H,3-8H2,1-2H3,(H,13,14)
InChIKeyRHDIAAFIQYQIIF-UHFFFAOYSA-N
XLogP1.12
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-pyrrolidin-1-ylpropan-1-one (CID 135508590) is 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-pyrrolidin-1-ylpropan-1-one is C/N=C1/NC(C)C(C(=O)CCN2CCCC2)S1.
What is the InChIKey of 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is RHDIAAFIQYQIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9-11(17-12(13-2)14-9)10(16)5-8-15-6-3-4-7-15/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-pyrrolidin-1-ylpropan-1-one?
1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 255.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 135508590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).