5-ethyl-5-methyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one

C13H22N2OS — CID 135783323

IUPAC5-ethyl-5-methyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one
SMILESCCC1(C)S/C(=N\C2C(C)(C)C2(C)C)NC1=O
InChIInChI=1S/C13H22N2OS/c1-7-13(6)9(16)15-10(17-13)14-8-11(2,3)12(8,4)5/h8H,7H2,1-6H3,(H,14,15,16)
InChIKeyWDCSIJCNNMQBAJ-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.81
Rot. Bonds2

About 5-ethyl-5-methyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one

5-ethyl-5-methyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one (PubChem CID 135783323) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 5-ethyl-5-methyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one
PubChem CID135783323
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name5-ethyl-5-methyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one
SMILESCCC1(C)S/C(=N\C2C(C)(C)C2(C)C)NC1=O
InChIInChI=1S/C13H22N2OS/c1-7-13(6)9(16)15-10(17-13)14-8-11(2,3)12(8,4)5/h8H,7H2,1-6H3,(H,14,15,16)
InChIKeyWDCSIJCNNMQBAJ-UHFFFAOYSA-N
XLogP2.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-5-propyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-4,5-dihydro-1,3-thiazol-4-one
CID 135783324
5-isopropyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-1,3-thiazol-4(5H)-one
CID 135399950
2-(2,2,3,3-Tetramethylcyclopropyl)imino-1-thia-3-azaspiro[4.4]nonan-4-one
CID 135461175
6-[(2,2,3,3-Tetramethylcyclopropyl)amino]-5-thia-7-azaspiro[3.4]oct-6-en-8-one
CID 135508217
2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989472
2-[(2R)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989878
5-Ethyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one
CID 136503079
2-[(3S)-2,5-dimethylhexan-3-yl]imino-5,5-diethyl-1,3-thiazolidin-4-one
CID 136503104
5-Propan-2-yl-2-(2,2,3-trimethylcyclopropyl)imino-1,3-thiazolidin-4-one
CID 136595725
2-Cyclopentylimino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 143468240
(5S)-2-cyclopentylimino-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
CID 143468482
5-Butylimino-4-thia-6-azaspiro[2.4]heptan-7-one
CID 137197563

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one (CID 135783323) is 5-ethyl-5-methyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one is CCC1(C)S/C(=N\C2C(C)(C)C2(C)C)NC1=O.
What is the InChIKey of 5-ethyl-5-methyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one?
The InChIKey is WDCSIJCNNMQBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-7-13(6)9(16)15-10(17-13)14-8-11(2,3)12(8,4)5/h8H,7H2,1-6H3,(H,14,15,16).
What are the key properties of 5-ethyl-5-methyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one?
5-ethyl-5-methyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one has a molecular weight of 254.40 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135783323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).