2-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,2,5-thiadiazolidin-3-one

C7H3F4N3OS — CID 18922259

IUPAC2-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,2,5-thiadiazolidin-3-one
SMILESO=C1CNSN1c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C7H3F4N3OS/c8-3-5(14-2(15)1-12-16-14)4(9)7(11)13-6(3)10/h12H,1H2
InChIKeyWTPDMUCVUNONIT-UHFFFAOYSA-N
MW253.18 g/mol
LogP1.14
Rot. Bonds1

About 2-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,2,5-thiadiazolidin-3-one

2-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,2,5-thiadiazolidin-3-one (PubChem CID 18922259) has the molecular formula C7H3F4N3OS and a molecular weight of 253.18 g/mol. Its IUPAC name is 2-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name2-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,2,5-thiadiazolidin-3-one
PubChem CID18922259
Molecular FormulaC7H3F4N3OS
Molecular Weight253.18 g/mol
Exact Mass252.99
IUPAC Name2-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,2,5-thiadiazolidin-3-one
SMILESO=C1CNSN1c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C7H3F4N3OS/c8-3-5(14-2(15)1-12-16-14)4(9)7(11)13-6(3)10/h12H,1H2
InChIKeyWTPDMUCVUNONIT-UHFFFAOYSA-N
XLogP1.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 2-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,2,5-thiadiazolidin-3-one (CID 18922259) is 2-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 2-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 2-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,2,5-thiadiazolidin-3-one is O=C1CNSN1c1c(F)c(F)nc(F)c1F.
What is the InChIKey of 2-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,2,5-thiadiazolidin-3-one?
The InChIKey is WTPDMUCVUNONIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4N3OS/c8-3-5(14-2(15)1-12-16-14)4(9)7(11)13-6(3)10/h12H,1H2.
What are the key properties of 2-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,2,5-thiadiazolidin-3-one?
2-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,2,5-thiadiazolidin-3-one has a molecular weight of 253.18 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6-tetrafluoro-4-pyridinyl)-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 18922259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).