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

C13H23N3OS — CID 135511327

IUPAC1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one
SMILESC/N=C1/NC(C)C(C(=O)CCN2CCCCC2)S1
InChIInChI=1S/C13H23N3OS/c1-10-12(18-13(14-2)15-10)11(17)6-9-16-7-4-3-5-8-16/h10,12H,3-9H2,1-2H3,(H,14,15)
InChIKeyNYNOXTQFGJEJAA-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.51
Rot. Bonds4

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

1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one (PubChem CID 135511327) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one
PubChem CID135511327
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one
SMILESC/N=C1/NC(C)C(C(=O)CCN2CCCCC2)S1
InChIInChI=1S/C13H23N3OS/c1-10-12(18-13(14-2)15-10)11(17)6-9-16-7-4-3-5-8-16/h10,12H,3-9H2,1-2H3,(H,14,15)
InChIKeyNYNOXTQFGJEJAA-UHFFFAOYSA-N
XLogP1.51
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Methylimino-1,3-thiazolidin-4-yl)propan-2-one
CID 152608854
1-(2-Amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 10060265
1-(2-Amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-piperidin-1-ylpropan-1-one
CID 10400145
1-(2-Ethylimino-4-methyl-1,3-thiazolidin-5-yl)ethanone
CID 135410181
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
3-(Dimethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one
CID 135504658
1-(4-Methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 135508590
1-(4-Methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-morpholin-4-ylpropan-1-one
CID 135508593
1-(4-Methyl-2-methylimino-1,3-thiazolidin-5-yl)ethanone
CID 135523686

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one (CID 135511327) is 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one is C/N=C1/NC(C)C(C(=O)CCN2CCCCC2)S1.
What is the InChIKey of 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is NYNOXTQFGJEJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-10-12(18-13(14-2)15-10)11(17)6-9-16-7-4-3-5-8-16/h10,12H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one?
1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 269.41 g/mol, XLogP of 1.51, 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-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 135511327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).