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

C14H19F2N2O2PS — CID 143468237

IUPAC2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCc1cc(C/N=C2/NC(=O)C(C)(C(C)C)S2)c(C(F)(F)P)o1
InChIInChI=1S/C14H19F2N2O2PS/c1-7(2)13(4)11(19)18-12(22-13)17-6-9-5-8(3)20-10(9)14(15,16)21/h5,7H,6,21H2,1-4H3,(H,17,18,19)
InChIKeyFRUGDFGRVAPGRS-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.65
Rot. Bonds4

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

2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 143468237) has the molecular formula C14H19F2N2O2PS and a molecular weight of 348.36 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.

Molecular Properties

Compound Name2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID143468237
Molecular FormulaC14H19F2N2O2PS
Molecular Weight348.36 g/mol
Exact Mass348.09
IUPAC Name2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one
SMILESCc1cc(C/N=C2/NC(=O)C(C)(C(C)C)S2)c(C(F)(F)P)o1
InChIInChI=1S/C14H19F2N2O2PS/c1-7(2)13(4)11(19)18-12(22-13)17-6-9-5-8(3)20-10(9)14(15,16)21/h5,7H,6,21H2,1-4H3,(H,17,18,19)
InChIKeyFRUGDFGRVAPGRS-UHFFFAOYSA-N
XLogP3.65
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.65
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?
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 (CID 143468237) is 2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one.
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?
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 is 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?
The InChIKey is FRUGDFGRVAPGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N2O2PS/c1-7(2)13(4)11(19)18-12(22-13)17-6-9-5-8(3)20-10(9)14(15,16)21/h5,7H,6,21H2,1-4H3,(H,17,18,19).
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?
2-[[2-[difluoro(phosphanyl)methyl]-5-methylfuran-3-yl]methylimino]-5-methyl-5-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 348.36 g/mol, XLogP of 3.65, 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 is sourced from PubChem (CID 143468237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).