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

C14H24N2OS — CID 135783324

IUPAC5-methyl-5-propyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one
SMILESCCCC1(C)S/C(=N\C2C(C)(C)C2(C)C)NC1=O
InChIInChI=1S/C14H24N2OS/c1-7-8-14(6)10(17)16-11(18-14)15-9-12(2,3)13(9,4)5/h9H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyMIRXZMLRTBPWJN-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.20
Rot. Bonds3

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

5-methyl-5-propyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one (PubChem CID 135783324) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 5-methyl-5-propyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-methyl-5-propyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one
PubChem CID135783324
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name5-methyl-5-propyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one
SMILESCCCC1(C)S/C(=N\C2C(C)(C)C2(C)C)NC1=O
InChIInChI=1S/C14H24N2OS/c1-7-8-14(6)10(17)16-11(18-14)15-9-12(2,3)13(9,4)5/h9H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyMIRXZMLRTBPWJN-UHFFFAOYSA-N
XLogP3.20
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.20
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

2-(Cyclohexylamino)-5-methyl-5-propyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783316
2-(Cycloheptylamino)-5-methyl-5-propyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783320
2-(Cyclooctylamino)-5-methyl-5-propyl-4,5-dihydro-1,3-thiazol-4-one
CID 135783322
5-Ethyl-5-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)amino]-4,5-dihydro-1,3-thiazol-4-one
CID 135783323
(5S)-2-(Cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one
CID 135566419
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
(5S)-2-tert-butylimino-5-methyl-5-propyl-1,3-thiazolidin-4-one
CID 136021328
6-(2-Methylhexan-3-ylimino)-5-thia-7-azaspiro[3.4]octan-8-one
CID 136503032
5-Ethyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one
CID 136503079
5-Propan-2-yl-2-(2,2,3-trimethylcyclopropyl)imino-1,3-thiazolidin-4-one
CID 136595725

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-propyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-methyl-5-propyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one (CID 135783324) is 5-methyl-5-propyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-methyl-5-propyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-methyl-5-propyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one is CCCC1(C)S/C(=N\C2C(C)(C)C2(C)C)NC1=O.
What is the InChIKey of 5-methyl-5-propyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one?
The InChIKey is MIRXZMLRTBPWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-7-8-14(6)10(17)16-11(18-14)15-9-12(2,3)13(9,4)5/h9H,7-8H2,1-6H3,(H,15,16,17).
What are the key properties of 5-methyl-5-propyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one?
5-methyl-5-propyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one has a molecular weight of 268.43 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-propyl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135783324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).