2-benzylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one;ethane;molecular hydrogen

C15H24N2OS — CID 143468326

IUPAC2-benzylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one;ethane;molecular hydrogen
SMILESCC.CCC1(C)S/C(=N/Cc2ccccc2)NC1=O.[H][H]
InChIInChI=1S/C13H16N2OS.C2H6.H2/c1-3-13(2)11(16)15-12(17-13)14-9-10-7-5-4-6-8-10;1-2;/h4-8H,3,9H2,1-2H3,(H,14,15,16);1-2H3;1H
InChIKeyBAPXNLZVYJHCPO-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.85
Rot. Bonds3

About 2-benzylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one;ethane;molecular hydrogen

2-benzylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one;ethane;molecular hydrogen (PubChem CID 143468326) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-benzylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one;ethane;molecular hydrogen.

Molecular Properties

Compound Name2-benzylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one;ethane;molecular hydrogen
PubChem CID143468326
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-benzylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one;ethane;molecular hydrogen
SMILESCC.CCC1(C)S/C(=N/Cc2ccccc2)NC1=O.[H][H]
InChIInChI=1S/C13H16N2OS.C2H6.H2/c1-3-13(2)11(16)15-12(17-13)14-9-10-7-5-4-6-8-10;1-2;/h4-8H,3,9H2,1-2H3,(H,14,15,16);1-2H3;1H
InChIKeyBAPXNLZVYJHCPO-UHFFFAOYSA-N
XLogP3.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.85
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 2-benzylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one;ethane;molecular hydrogen?
The IUPAC name of 2-benzylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one;ethane;molecular hydrogen (CID 143468326) is 2-benzylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one;ethane;molecular hydrogen.
What is the SMILES notation for 2-benzylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one;ethane;molecular hydrogen?
The canonical SMILES for 2-benzylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one;ethane;molecular hydrogen is CC.CCC1(C)S/C(=N/Cc2ccccc2)NC1=O.[H][H].
What is the InChIKey of 2-benzylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one;ethane;molecular hydrogen?
The InChIKey is BAPXNLZVYJHCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS.C2H6.H2/c1-3-13(2)11(16)15-12(17-13)14-9-10-7-5-4-6-8-10;1-2;/h4-8H,3,9H2,1-2H3,(H,14,15,16);1-2H3;1H.
What are the key properties of 2-benzylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one;ethane;molecular hydrogen?
2-benzylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one;ethane;molecular hydrogen has a molecular weight of 280.44 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylimino-5-ethyl-5-methyl-1,3-thiazolidin-4-one;ethane;molecular hydrogen is sourced from PubChem (CID 143468326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).