2-(4-ethylhexan-2-ylimino)-5-propan-2-yl-1,3-thiazolidin-4-one;methane

C15H30N2OS — CID 143147028

IUPAC2-(4-ethylhexan-2-ylimino)-5-propan-2-yl-1,3-thiazolidin-4-one;methane
SMILESC.CCC(CC)CC(C)/N=C1/NC(=O)C(C(C)C)S1
InChIInChI=1S/C14H26N2OS.CH4/c1-6-11(7-2)8-10(5)15-14-16-13(17)12(18-14)9(3)4;/h9-12H,6-8H2,1-5H3,(H,15,16,17);1H4
InChIKeyFKFLONYVUMMYOD-UHFFFAOYSA-N
MW286.48 g/mol
LogP4.08
Rot. Bonds6

About 2-(4-ethylhexan-2-ylimino)-5-propan-2-yl-1,3-thiazolidin-4-one;methane

2-(4-ethylhexan-2-ylimino)-5-propan-2-yl-1,3-thiazolidin-4-one;methane (PubChem CID 143147028) has the molecular formula C15H30N2OS and a molecular weight of 286.48 g/mol. Its IUPAC name is 2-(4-ethylhexan-2-ylimino)-5-propan-2-yl-1,3-thiazolidin-4-one;methane.

Molecular Properties

Compound Name2-(4-ethylhexan-2-ylimino)-5-propan-2-yl-1,3-thiazolidin-4-one;methane
PubChem CID143147028
Molecular FormulaC15H30N2OS
Molecular Weight286.48 g/mol
Exact Mass286.21
IUPAC Name2-(4-ethylhexan-2-ylimino)-5-propan-2-yl-1,3-thiazolidin-4-one;methane
SMILESC.CCC(CC)CC(C)/N=C1/NC(=O)C(C(C)C)S1
InChIInChI=1S/C14H26N2OS.CH4/c1-6-11(7-2)8-10(5)15-14-16-13(17)12(18-14)9(3)4;/h9-12H,6-8H2,1-5H3,(H,15,16,17);1H4
InChIKeyFKFLONYVUMMYOD-UHFFFAOYSA-N
XLogP4.08
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 54.08
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-(4-ethylhexan-2-ylimino)-5-propan-2-yl-1,3-thiazolidin-4-one;methane?
The IUPAC name of 2-(4-ethylhexan-2-ylimino)-5-propan-2-yl-1,3-thiazolidin-4-one;methane (CID 143147028) is 2-(4-ethylhexan-2-ylimino)-5-propan-2-yl-1,3-thiazolidin-4-one;methane.
What is the SMILES notation for 2-(4-ethylhexan-2-ylimino)-5-propan-2-yl-1,3-thiazolidin-4-one;methane?
The canonical SMILES for 2-(4-ethylhexan-2-ylimino)-5-propan-2-yl-1,3-thiazolidin-4-one;methane is C.CCC(CC)CC(C)/N=C1/NC(=O)C(C(C)C)S1.
What is the InChIKey of 2-(4-ethylhexan-2-ylimino)-5-propan-2-yl-1,3-thiazolidin-4-one;methane?
The InChIKey is FKFLONYVUMMYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS.CH4/c1-6-11(7-2)8-10(5)15-14-16-13(17)12(18-14)9(3)4;/h9-12H,6-8H2,1-5H3,(H,15,16,17);1H4.
What are the key properties of 2-(4-ethylhexan-2-ylimino)-5-propan-2-yl-1,3-thiazolidin-4-one;methane?
2-(4-ethylhexan-2-ylimino)-5-propan-2-yl-1,3-thiazolidin-4-one;methane has a molecular weight of 286.48 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylhexan-2-ylimino)-5-propan-2-yl-1,3-thiazolidin-4-one;methane is sourced from PubChem (CID 143147028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).