5-[[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]methyl]pyrrolidin-2-one

C12H21N3OS — CID 135978278

IUPAC5-[[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]methyl]pyrrolidin-2-one
SMILESCCC1(CC)CS/C(=N\CC2CCC(=O)N2)N1
InChIInChI=1S/C12H21N3OS/c1-3-12(4-2)8-17-11(15-12)13-7-9-5-6-10(16)14-9/h9H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyCPPWYNMJUNFMIA-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.52
Rot. Bonds4

About 5-[[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]methyl]pyrrolidin-2-one

5-[[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]methyl]pyrrolidin-2-one (PubChem CID 135978278) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 5-[[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]methyl]pyrrolidin-2-one
PubChem CID135978278
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name5-[[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]methyl]pyrrolidin-2-one
SMILESCCC1(CC)CS/C(=N\CC2CCC(=O)N2)N1
InChIInChI=1S/C12H21N3OS/c1-3-12(4-2)8-17-11(15-12)13-7-9-5-6-10(16)14-9/h9H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyCPPWYNMJUNFMIA-UHFFFAOYSA-N
XLogP1.52
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,1-dioxothiolan-3-yl)methyl]-4,4-diethyl-1,3-thiazolidin-2-imine
CID 135977171
4,4-diethyl-N-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazolidin-2-imine
CID 135977043
N-(2-cyclohexylethyl)-4,4-diethyl-1,3-thiazolidin-2-imine
CID 135977294
2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylacetamide
CID 136748295
N-(2-ethoxy-2-methylpropyl)-4,4-diethyl-1,3-thiazolidin-2-imine
CID 136954513
4-ethyl-4-methyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine
CID 136867395
4,4-diethyl-N-[(1-methylsulfanylcyclohexyl)methyl]-1,3-thiazolidin-2-imine
CID 136762681
4,4-diethyl-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazolidin-2-imine
CID 137016836
(5R)-5-(sulfanylmethyl)pyrrolidin-2-one
CID 59949416
4,4-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidin-2-imine
CID 136908728
2-[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]-N,N-diethylpropanamide
CID 136830040
4,4-diethyl-N-[3-(triazol-1-yl)propyl]-1,3-thiazolidin-2-imine
CID 136824830

Frequently Asked Questions

What is the IUPAC name of 5-[[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]methyl]pyrrolidin-2-one (CID 135978278) is 5-[[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]methyl]pyrrolidin-2-one is CCC1(CC)CS/C(=N\CC2CCC(=O)N2)N1.
What is the InChIKey of 5-[[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]methyl]pyrrolidin-2-one?
The InChIKey is CPPWYNMJUNFMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-12(4-2)8-17-11(15-12)13-7-9-5-6-10(16)14-9/h9H,3-8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 5-[[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]methyl]pyrrolidin-2-one?
5-[[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]methyl]pyrrolidin-2-one has a molecular weight of 255.39 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4,4-diethyl-1,3-thiazolidin-2-ylidene)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 135978278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).