5-butyl-2-tert-butylimino-1,3-thiazolidin-4-one

C11H20N2OS — CID 137292344

IUPAC5-butyl-2-tert-butylimino-1,3-thiazolidin-4-one
SMILESCCCCC1S/C(=N\C(C)(C)C)NC1=O
InChIInChI=1S/C11H20N2OS/c1-5-6-7-8-9(14)12-10(15-8)13-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyFRWRLLWQSASAKL-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.56
Rot. Bonds3

About 5-butyl-2-tert-butylimino-1,3-thiazolidin-4-one

5-butyl-2-tert-butylimino-1,3-thiazolidin-4-one (PubChem CID 137292344) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 5-butyl-2-tert-butylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-tert-butylimino-1,3-thiazolidin-4-one
PubChem CID137292344
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name5-butyl-2-tert-butylimino-1,3-thiazolidin-4-one
SMILESCCCCC1S/C(=N\C(C)(C)C)NC1=O
InChIInChI=1S/C11H20N2OS/c1-5-6-7-8-9(14)12-10(15-8)13-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,13,14)
InChIKeyFRWRLLWQSASAKL-UHFFFAOYSA-N
XLogP2.56
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.56
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-butyl-2-tert-butylimino-1,3-thiazolidin-4-one?
The IUPAC name of 5-butyl-2-tert-butylimino-1,3-thiazolidin-4-one (CID 137292344) is 5-butyl-2-tert-butylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-butyl-2-tert-butylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-butyl-2-tert-butylimino-1,3-thiazolidin-4-one is CCCCC1S/C(=N\C(C)(C)C)NC1=O.
What is the InChIKey of 5-butyl-2-tert-butylimino-1,3-thiazolidin-4-one?
The InChIKey is FRWRLLWQSASAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-5-6-7-8-9(14)12-10(15-8)13-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,13,14).
What are the key properties of 5-butyl-2-tert-butylimino-1,3-thiazolidin-4-one?
5-butyl-2-tert-butylimino-1,3-thiazolidin-4-one has a molecular weight of 228.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-tert-butylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 137292344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).