diethylphosphane;ethane;2-ethylimino-5-propan-2-yl-1,3-thiazolidin-4-one

C14H31N2OPS — CID 143146987

IUPACdiethylphosphane;ethane;2-ethylimino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC.CC/N=C1/NC(=O)C(C(C)C)S1.CCPCC
InChIInChI=1S/C8H14N2OS.C4H11P.C2H6/c1-4-9-8-10-7(11)6(12-8)5(2)3;1-3-5-4-2;1-2/h5-6H,4H2,1-3H3,(H,9,10,11);5H,3-4H2,1-2H3;1-2H3
InChIKeySPWFUPVVKBAZSI-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.98
Rot. Bonds4

About diethylphosphane;ethane;2-ethylimino-5-propan-2-yl-1,3-thiazolidin-4-one

diethylphosphane;ethane;2-ethylimino-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 143146987) has the molecular formula C14H31N2OPS and a molecular weight of 306.46 g/mol. Its IUPAC name is diethylphosphane;ethane;2-ethylimino-5-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Namediethylphosphane;ethane;2-ethylimino-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID143146987
Molecular FormulaC14H31N2OPS
Molecular Weight306.46 g/mol
Exact Mass306.19
IUPAC Namediethylphosphane;ethane;2-ethylimino-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC.CC/N=C1/NC(=O)C(C(C)C)S1.CCPCC
InChIInChI=1S/C8H14N2OS.C4H11P.C2H6/c1-4-9-8-10-7(11)6(12-8)5(2)3;1-3-5-4-2;1-2/h5-6H,4H2,1-3H3,(H,9,10,11);5H,3-4H2,1-2H3;1-2H3
InChIKeySPWFUPVVKBAZSI-UHFFFAOYSA-N
XLogP3.98
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethylimino)-5-propan-2-yl-1,3-thiazolidin-4-one
CID 173496185
5-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
CID 137292365
2-tert-butylimino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 137292366
2-[(2S)-3,3-dimethylbutan-2-yl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989472
2-[(1S)-1-(2-fluorophenyl)ethyl]imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989898
(5R)-2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135566336
2-(4-methoxyphenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
CID 137292283
(2Z,5S)-2-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135916192
3-ethyl-1-methyl-6-propan-2-yl-4H-pyrazolo[5,4-b][1,4]thiazin-5-one
CID 105356083
(2Z)-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135986920
(2Z,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135850813
2-[[4-(4-methylsulfonylphenyl)-1-bicyclo[2.2.2]octanyl]imino]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135989847

Frequently Asked Questions

What is the IUPAC name of diethylphosphane;ethane;2-ethylimino-5-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of diethylphosphane;ethane;2-ethylimino-5-propan-2-yl-1,3-thiazolidin-4-one (CID 143146987) is diethylphosphane;ethane;2-ethylimino-5-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for diethylphosphane;ethane;2-ethylimino-5-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for diethylphosphane;ethane;2-ethylimino-5-propan-2-yl-1,3-thiazolidin-4-one is CC.CC/N=C1/NC(=O)C(C(C)C)S1.CCPCC.
What is the InChIKey of diethylphosphane;ethane;2-ethylimino-5-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is SPWFUPVVKBAZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS.C4H11P.C2H6/c1-4-9-8-10-7(11)6(12-8)5(2)3;1-3-5-4-2;1-2/h5-6H,4H2,1-3H3,(H,9,10,11);5H,3-4H2,1-2H3;1-2H3.
What are the key properties of diethylphosphane;ethane;2-ethylimino-5-propan-2-yl-1,3-thiazolidin-4-one?
diethylphosphane;ethane;2-ethylimino-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 306.46 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethylphosphane;ethane;2-ethylimino-5-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 143146987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).