5-[2-fluoro-6-hydroxy-4-[[[(3S)-oxan-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C14H18FN3O5S — CID 169119862

IUPAC5-[2-fluoro-6-hydroxy-4-[[[(3S)-oxan-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)cc(CN[C@H]3CCCOC3)cc2F)S(=O)(=O)N1
InChIInChI=1S/C14H18FN3O5S/c15-11-4-9(6-16-10-2-1-3-23-8-10)5-12(19)14(11)18-7-13(20)17-24(18,21)22/h4-5,10,16,19H,1-3,6-8H2,(H,17,20)/t10-/m0/s1
InChIKeyJZARRHCQFFVWPO-JTQLQIEISA-N
MW359.38 g/mol
LogP-0.02
Rot. Bonds4

About 5-[2-fluoro-6-hydroxy-4-[[[(3S)-oxan-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[2-fluoro-6-hydroxy-4-[[[(3S)-oxan-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 169119862) has the molecular formula C14H18FN3O5S and a molecular weight of 359.38 g/mol. Its IUPAC name is 5-[2-fluoro-6-hydroxy-4-[[[(3S)-oxan-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[2-fluoro-6-hydroxy-4-[[[(3S)-oxan-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID169119862
Molecular FormulaC14H18FN3O5S
Molecular Weight359.38 g/mol
Exact Mass359.10
IUPAC Name5-[2-fluoro-6-hydroxy-4-[[[(3S)-oxan-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)cc(CN[C@H]3CCCOC3)cc2F)S(=O)(=O)N1
InChIInChI=1S/C14H18FN3O5S/c15-11-4-9(6-16-10-2-1-3-23-8-10)5-12(19)14(11)18-7-13(20)17-24(18,21)22/h4-5,10,16,19H,1-3,6-8H2,(H,17,20)/t10-/m0/s1
InChIKeyJZARRHCQFFVWPO-JTQLQIEISA-N
XLogP-0.02
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[2-fluoro-6-hydroxy-4-[[[(3S)-oxan-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-6-hydroxy-4-[[[(3S)-oxan-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[2-fluoro-6-hydroxy-4-[[[(3S)-oxan-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 169119862) is 5-[2-fluoro-6-hydroxy-4-[[[(3S)-oxan-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[2-fluoro-6-hydroxy-4-[[[(3S)-oxan-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[2-fluoro-6-hydroxy-4-[[[(3S)-oxan-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is O=C1CN(c2c(O)cc(CN[C@H]3CCCOC3)cc2F)S(=O)(=O)N1.
What is the InChIKey of 5-[2-fluoro-6-hydroxy-4-[[[(3S)-oxan-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is JZARRHCQFFVWPO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18FN3O5S/c15-11-4-9(6-16-10-2-1-3-23-8-10)5-12(19)14(11)18-7-13(20)17-24(18,21)22/h4-5,10,16,19H,1-3,6-8H2,(H,17,20)/t10-/m0/s1.
What are the key properties of 5-[2-fluoro-6-hydroxy-4-[[[(3S)-oxan-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[2-fluoro-6-hydroxy-4-[[[(3S)-oxan-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 359.38 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-6-hydroxy-4-[[[(3S)-oxan-3-yl]amino]methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 169119862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).