5-[2-fluoro-6-hydroxy-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C15H14FN5O5S — CID 170407099

IUPAC5-[2-fluoro-6-hydroxy-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)cc(Nc3nc4c(c(=O)[nH]3)CCC4)cc2F)S(=O)(=O)N1
InChIInChI=1S/C15H14FN5O5S/c16-9-4-7(17-15-18-10-3-1-2-8(10)14(24)19-15)5-11(22)13(9)21-6-12(23)20-27(21,25)26/h4-5,22H,1-3,6H2,(H,20,23)(H2,17,18,19,24)
InChIKeyNRWZWCGFZZQLBI-UHFFFAOYSA-N
MW395.37 g/mol
LogP0.03
Rot. Bonds3

About 5-[2-fluoro-6-hydroxy-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[2-fluoro-6-hydroxy-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 170407099) has the molecular formula C15H14FN5O5S and a molecular weight of 395.37 g/mol. Its IUPAC name is 5-[2-fluoro-6-hydroxy-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[2-fluoro-6-hydroxy-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID170407099
Molecular FormulaC15H14FN5O5S
Molecular Weight395.37 g/mol
Exact Mass395.07
IUPAC Name5-[2-fluoro-6-hydroxy-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)cc(Nc3nc4c(c(=O)[nH]3)CCC4)cc2F)S(=O)(=O)N1
InChIInChI=1S/C15H14FN5O5S/c16-9-4-7(17-15-18-10-3-1-2-8(10)14(24)19-15)5-11(22)13(9)21-6-12(23)20-27(21,25)26/h4-5,22H,1-3,6H2,(H,20,23)(H2,17,18,19,24)
InChIKeyNRWZWCGFZZQLBI-UHFFFAOYSA-N
XLogP0.03
TPSA144.49 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-[2-fluoro-6-hydroxy-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-6-hydroxy-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[2-fluoro-6-hydroxy-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 170407099) is 5-[2-fluoro-6-hydroxy-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[2-fluoro-6-hydroxy-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[2-fluoro-6-hydroxy-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is O=C1CN(c2c(O)cc(Nc3nc4c(c(=O)[nH]3)CCC4)cc2F)S(=O)(=O)N1.
What is the InChIKey of 5-[2-fluoro-6-hydroxy-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is NRWZWCGFZZQLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O5S/c16-9-4-7(17-15-18-10-3-1-2-8(10)14(24)19-15)5-11(22)13(9)21-6-12(23)20-27(21,25)26/h4-5,22H,1-3,6H2,(H,20,23)(H2,17,18,19,24).
What are the key properties of 5-[2-fluoro-6-hydroxy-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[2-fluoro-6-hydroxy-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 395.37 g/mol, XLogP of 0.03, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-6-hydroxy-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)amino]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 170407099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).