5-propan-2-yl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one

C13H22N2OS — CID 135399950

IUPAC5-propan-2-yl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N\C2C(C)(C)C2(C)C)NC1=O
InChIInChI=1S/C13H22N2OS/c1-7(2)8-9(16)14-11(17-8)15-10-12(3,4)13(10,5)6/h7-8,10H,1-6H3,(H,14,15,16)
InChIKeyUFAVUJPAFBKLFR-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.66
Rot. Bonds2

About 5-propan-2-yl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one

5-propan-2-yl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one (PubChem CID 135399950) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 5-propan-2-yl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-propan-2-yl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one
PubChem CID135399950
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name5-propan-2-yl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one
SMILESCC(C)C1S/C(=N\C2C(C)(C)C2(C)C)NC1=O
InChIInChI=1S/C13H22N2OS/c1-7(2)8-9(16)14-11(17-8)15-10-12(3,4)13(10,5)6/h7-8,10H,1-6H3,(H,14,15,16)
InChIKeyUFAVUJPAFBKLFR-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-propan-2-yl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-propan-2-yl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one (CID 135399950) is 5-propan-2-yl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-propan-2-yl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-propan-2-yl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one is CC(C)C1S/C(=N\C2C(C)(C)C2(C)C)NC1=O.
What is the InChIKey of 5-propan-2-yl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one?
The InChIKey is UFAVUJPAFBKLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-7(2)8-9(16)14-11(17-8)15-10-12(3,4)13(10,5)6/h7-8,10H,1-6H3,(H,14,15,16).
What are the key properties of 5-propan-2-yl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one?
5-propan-2-yl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one has a molecular weight of 254.40 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(2,2,3,3-tetramethylcyclopropyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135399950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).