2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;ethane

C16H25F2N2O2PS — CID 143468236

IUPAC2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;ethane
SMILESCC.Cc1cc(C/N=C2/NC(=O)C(C)(C(C)C)S2)c(C(F)(F)P)o1
InChIInChI=1S/C14H19F2N2O2PS.C2H6/c1-7(2)13(4)11(19)18-12(22-13)17-6-9-5-8(3)20-10(9)14(15,16)21;1-2/h5,7H,6,21H2,1-4H3,(H,17,18,19);1-2H3
InChIKeyQPMFAFITIZNCKW-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.67
Rot. Bonds4

About 2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;ethane

2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;ethane (PubChem CID 143468236) has the molecular formula C16H25F2N2O2PS and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;ethane.

Molecular Properties

Compound Name2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;ethane
PubChem CID143468236
Molecular FormulaC16H25F2N2O2PS
Molecular Weight378.43 g/mol
Exact Mass378.13
IUPAC Name2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;ethane
SMILESCC.Cc1cc(C/N=C2/NC(=O)C(C)(C(C)C)S2)c(C(F)(F)P)o1
InChIInChI=1S/C14H19F2N2O2PS.C2H6/c1-7(2)13(4)11(19)18-12(22-13)17-6-9-5-8(3)20-10(9)14(15,16)21;1-2/h5,7H,6,21H2,1-4H3,(H,17,18,19);1-2H3
InChIKeyQPMFAFITIZNCKW-UHFFFAOYSA-N
XLogP4.67
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;ethane?
The IUPAC name of 2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;ethane (CID 143468236) is 2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;ethane.
What is the SMILES notation for 2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;ethane?
The canonical SMILES for 2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;ethane is CC.Cc1cc(C/N=C2/NC(=O)C(C)(C(C)C)S2)c(C(F)(F)P)o1.
What is the InChIKey of 2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;ethane?
The InChIKey is QPMFAFITIZNCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N2O2PS.C2H6/c1-7(2)13(4)11(19)18-12(22-13)17-6-9-5-8(3)20-10(9)14(15,16)21;1-2/h5,7H,6,21H2,1-4H3,(H,17,18,19);1-2H3.
What are the key properties of 2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;ethane?
2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;ethane has a molecular weight of 378.43 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one;ethane is sourced from PubChem (CID 143468236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).