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

C16H22FN3O4S — CID 176695965

IUPAC5-[2-fluoro-6-hydroxy-4-[(2-propylpyrrolidin-3-yl)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCCCC1NCCC1Cc1cc(O)c(N2CC(=O)NS2(=O)=O)c(F)c1
InChIInChI=1S/C16H22FN3O4S/c1-2-3-13-11(4-5-18-13)6-10-7-12(17)16(14(21)8-10)20-9-15(22)19-25(20,23)24/h7-8,11,13,18,21H,2-6,9H2,1H3,(H,19,22)
InChIKeyXWVKLXFNUITPMM-UHFFFAOYSA-N
MW371.43 g/mol
LogP1.03
Rot. Bonds5

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

5-[2-fluoro-6-hydroxy-4-[(2-propylpyrrolidin-3-yl)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 176695965) has the molecular formula C16H22FN3O4S and a molecular weight of 371.43 g/mol. Its IUPAC name is 5-[2-fluoro-6-hydroxy-4-[(2-propylpyrrolidin-3-yl)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[2-fluoro-6-hydroxy-4-[(2-propylpyrrolidin-3-yl)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID176695965
Molecular FormulaC16H22FN3O4S
Molecular Weight371.43 g/mol
Exact Mass371.13
IUPAC Name5-[2-fluoro-6-hydroxy-4-[(2-propylpyrrolidin-3-yl)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCCCC1NCCC1Cc1cc(O)c(N2CC(=O)NS2(=O)=O)c(F)c1
InChIInChI=1S/C16H22FN3O4S/c1-2-3-13-11(4-5-18-13)6-10-7-12(17)16(14(21)8-10)20-9-15(22)19-25(20,23)24/h7-8,11,13,18,21H,2-6,9H2,1H3,(H,19,22)
InChIKeyXWVKLXFNUITPMM-UHFFFAOYSA-N
XLogP1.03
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[2-fluoro-6-hydroxy-4-[(2-propylpyrrolidin-3-yl)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-[(2-propylpyrrolidin-3-yl)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[2-fluoro-6-hydroxy-4-[(2-propylpyrrolidin-3-yl)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 176695965) is 5-[2-fluoro-6-hydroxy-4-[(2-propylpyrrolidin-3-yl)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[2-fluoro-6-hydroxy-4-[(2-propylpyrrolidin-3-yl)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[2-fluoro-6-hydroxy-4-[(2-propylpyrrolidin-3-yl)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is CCCC1NCCC1Cc1cc(O)c(N2CC(=O)NS2(=O)=O)c(F)c1.
What is the InChIKey of 5-[2-fluoro-6-hydroxy-4-[(2-propylpyrrolidin-3-yl)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is XWVKLXFNUITPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O4S/c1-2-3-13-11(4-5-18-13)6-10-7-12(17)16(14(21)8-10)20-9-15(22)19-25(20,23)24/h7-8,11,13,18,21H,2-6,9H2,1H3,(H,19,22).
What are the key properties of 5-[2-fluoro-6-hydroxy-4-[(2-propylpyrrolidin-3-yl)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[2-fluoro-6-hydroxy-4-[(2-propylpyrrolidin-3-yl)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 371.43 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-6-hydroxy-4-[(2-propylpyrrolidin-3-yl)methyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 176695965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).