5-[2-fluoro-6-hydroxy-3-(2-phenyl-4-pyridinyl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one

C19H14FN3O3S — CID 168900565

IUPAC5-[2-fluoro-6-hydroxy-3-(2-phenyl-4-pyridinyl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)ccc(-c3ccnc(-c4ccccc4)c3)c2F)S(=O)N1
InChIInChI=1S/C19H14FN3O3S/c20-18-14(6-7-16(24)19(18)23-11-17(25)22-27(23)26)13-8-9-21-15(10-13)12-4-2-1-3-5-12/h1-10,24H,11H2,(H,22,25)
InChIKeyFRNFMOCRXJGPNM-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.78
Rot. Bonds3

About 5-[2-fluoro-6-hydroxy-3-(2-phenyl-4-pyridinyl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one

5-[2-fluoro-6-hydroxy-3-(2-phenyl-4-pyridinyl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one (PubChem CID 168900565) has the molecular formula C19H14FN3O3S and a molecular weight of 383.40 g/mol. Its IUPAC name is 5-[2-fluoro-6-hydroxy-3-(2-phenyl-4-pyridinyl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[2-fluoro-6-hydroxy-3-(2-phenyl-4-pyridinyl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one
PubChem CID168900565
Molecular FormulaC19H14FN3O3S
Molecular Weight383.40 g/mol
Exact Mass383.07
IUPAC Name5-[2-fluoro-6-hydroxy-3-(2-phenyl-4-pyridinyl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)ccc(-c3ccnc(-c4ccccc4)c3)c2F)S(=O)N1
InChIInChI=1S/C19H14FN3O3S/c20-18-14(6-7-16(24)19(18)23-11-17(25)22-27(23)26)13-8-9-21-15(10-13)12-4-2-1-3-5-12/h1-10,24H,11H2,(H,22,25)
InChIKeyFRNFMOCRXJGPNM-UHFFFAOYSA-N
XLogP2.78
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-6-hydroxy-3-(2-phenyl-4-pyridinyl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[2-fluoro-6-hydroxy-3-(2-phenyl-4-pyridinyl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one (CID 168900565) is 5-[2-fluoro-6-hydroxy-3-(2-phenyl-4-pyridinyl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[2-fluoro-6-hydroxy-3-(2-phenyl-4-pyridinyl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[2-fluoro-6-hydroxy-3-(2-phenyl-4-pyridinyl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one is O=C1CN(c2c(O)ccc(-c3ccnc(-c4ccccc4)c3)c2F)S(=O)N1.
What is the InChIKey of 5-[2-fluoro-6-hydroxy-3-(2-phenyl-4-pyridinyl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is FRNFMOCRXJGPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3S/c20-18-14(6-7-16(24)19(18)23-11-17(25)22-27(23)26)13-8-9-21-15(10-13)12-4-2-1-3-5-12/h1-10,24H,11H2,(H,22,25).
What are the key properties of 5-[2-fluoro-6-hydroxy-3-(2-phenyl-4-pyridinyl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one?
5-[2-fluoro-6-hydroxy-3-(2-phenyl-4-pyridinyl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 383.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-6-hydroxy-3-(2-phenyl-4-pyridinyl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 168900565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).