5-(2,2-difluoro-2-phosphanylethyl)-5-methyl-2-(4-tricyclo[4.2.0.01,3]octanylimino)-1,3-thiazolidin-4-one

C14H19F2N2OPS — CID 143468510

IUPAC5-(2,2-difluoro-2-phosphanylethyl)-5-methyl-2-(4-tricyclo[4.2.0.01,3]octanylimino)-1,3-thiazolidin-4-one
SMILESCC1(CC(F)(F)P)S/C(=N\C2CC3CCC34CC24)NC1=O
InChIInChI=1S/C14H19F2N2OPS/c1-12(6-14(15,16)20)10(19)18-11(21-12)17-9-4-7-2-3-13(7)5-8(9)13/h7-9H,2-6,20H2,1H3,(H,17,18,19)
InChIKeyAPEYLNZAVDJZAG-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.01
Rot. Bonds3

About 5-(2,2-difluoro-2-phosphanylethyl)-5-methyl-2-(4-tricyclo[4.2.0.01,3]octanylimino)-1,3-thiazolidin-4-one

5-(2,2-difluoro-2-phosphanylethyl)-5-methyl-2-(4-tricyclo[4.2.0.01,3]octanylimino)-1,3-thiazolidin-4-one (PubChem CID 143468510) has the molecular formula C14H19F2N2OPS and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-(2,2-difluoro-2-phosphanylethyl)-5-methyl-2-(4-tricyclo[4.2.0.01,3]octanylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(2,2-difluoro-2-phosphanylethyl)-5-methyl-2-(4-tricyclo[4.2.0.01,3]octanylimino)-1,3-thiazolidin-4-one
PubChem CID143468510
Molecular FormulaC14H19F2N2OPS
Molecular Weight332.36 g/mol
Exact Mass332.09
IUPAC Name5-(2,2-difluoro-2-phosphanylethyl)-5-methyl-2-(4-tricyclo[4.2.0.01,3]octanylimino)-1,3-thiazolidin-4-one
SMILESCC1(CC(F)(F)P)S/C(=N\C2CC3CCC34CC24)NC1=O
InChIInChI=1S/C14H19F2N2OPS/c1-12(6-14(15,16)20)10(19)18-11(21-12)17-9-4-7-2-3-13(7)5-8(9)13/h7-9H,2-6,20H2,1H3,(H,17,18,19)
InChIKeyAPEYLNZAVDJZAG-UHFFFAOYSA-N
XLogP3.01
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.01
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'}

Analyze 5-(2,2-difluoro-2-phosphanylethyl)-5-methyl-2-(4-tricyclo[4.2.0.01,3]octanylimino)-1,3-thiazolidin-4-one with MolForge

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Related Compounds

5-methyl-2-[[(4S,6S)-4-tricyclo[4.1.0.01,3]heptanyl]imino]-5-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1,3-thiazolidin-4-one
CID 162551173
(5R)-2-[[(2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-(2-fluoropropan-2-yl)-5-methyl-1,3-thiazolidin-4-one
CID 136503261
(5R)-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-(1,1-difluoroethyl)-5-methyl-1,3-thiazolidin-4-one
CID 135999762
2-[(6,6-difluoro-2-bicyclo[2.2.1]heptanyl)imino]-1-thia-3-azaspiro[4.4]nonan-4-one
CID 135989578
2-(1-bicyclo[2.2.1]heptanylimino)-5-methyl-5-propyl-1,3-thiazolidin-4-one
CID 135783326
2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(oxan-4-ylmethyl)-1,3-thiazolidin-4-one
CID 135989120
2-(2-bicyclo[2.2.1]heptanylimino)-5-methyl-5-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
CID 135989482
2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,3-thiazolidin-4-one
CID 135989355
5-[(1-acetylpiperidin-4-yl)methyl]-2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-1,3-thiazolidin-4-one
CID 135989755
2-(5,5-difluorocyclooctyl)imino-5-methyl-5-(trifluoromethyl)-1,3-thiazolidin-4-one
CID 135989738
2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-(1-methylpiperidin-4-yl)-1,3-thiazolidin-4-one
CID 136595644
2-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]imino]-5-methyl-5-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-1,3-thiazolidin-4-one
CID 135989710

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoro-2-phosphanylethyl)-5-methyl-2-(4-tricyclo[4.2.0.01,3]octanylimino)-1,3-thiazolidin-4-one?
The IUPAC name of 5-(2,2-difluoro-2-phosphanylethyl)-5-methyl-2-(4-tricyclo[4.2.0.01,3]octanylimino)-1,3-thiazolidin-4-one (CID 143468510) is 5-(2,2-difluoro-2-phosphanylethyl)-5-methyl-2-(4-tricyclo[4.2.0.01,3]octanylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(2,2-difluoro-2-phosphanylethyl)-5-methyl-2-(4-tricyclo[4.2.0.01,3]octanylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(2,2-difluoro-2-phosphanylethyl)-5-methyl-2-(4-tricyclo[4.2.0.01,3]octanylimino)-1,3-thiazolidin-4-one is CC1(CC(F)(F)P)S/C(=N\C2CC3CCC34CC24)NC1=O.
What is the InChIKey of 5-(2,2-difluoro-2-phosphanylethyl)-5-methyl-2-(4-tricyclo[4.2.0.01,3]octanylimino)-1,3-thiazolidin-4-one?
The InChIKey is APEYLNZAVDJZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N2OPS/c1-12(6-14(15,16)20)10(19)18-11(21-12)17-9-4-7-2-3-13(7)5-8(9)13/h7-9H,2-6,20H2,1H3,(H,17,18,19).
What are the key properties of 5-(2,2-difluoro-2-phosphanylethyl)-5-methyl-2-(4-tricyclo[4.2.0.01,3]octanylimino)-1,3-thiazolidin-4-one?
5-(2,2-difluoro-2-phosphanylethyl)-5-methyl-2-(4-tricyclo[4.2.0.01,3]octanylimino)-1,3-thiazolidin-4-one has a molecular weight of 332.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoro-2-phosphanylethyl)-5-methyl-2-(4-tricyclo[4.2.0.01,3]octanylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 143468510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).