5-[6-(2-aminoethoxy)-1-fluoro-3-hydroxynaphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one

C14H14FN3O4S — CID 156798349

IUPAC5-[6-(2-aminoethoxy)-1-fluoro-3-hydroxynaphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one
SMILESNCCOc1ccc2c(F)c(N3CC(=O)NS3=O)c(O)cc2c1
InChIInChI=1S/C14H14FN3O4S/c15-13-10-2-1-9(22-4-3-16)5-8(10)6-11(19)14(13)18-7-12(20)17-23(18)21/h1-2,5-6,19H,3-4,7,16H2,(H,17,20)
InChIKeySIYOSXOMLGRGQL-UHFFFAOYSA-N
MW339.35 g/mol
LogP0.54
Rot. Bonds4

About 5-[6-(2-aminoethoxy)-1-fluoro-3-hydroxynaphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one

5-[6-(2-aminoethoxy)-1-fluoro-3-hydroxynaphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one (PubChem CID 156798349) has the molecular formula C14H14FN3O4S and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-[6-(2-aminoethoxy)-1-fluoro-3-hydroxynaphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[6-(2-aminoethoxy)-1-fluoro-3-hydroxynaphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one
PubChem CID156798349
Molecular FormulaC14H14FN3O4S
Molecular Weight339.35 g/mol
Exact Mass339.07
IUPAC Name5-[6-(2-aminoethoxy)-1-fluoro-3-hydroxynaphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one
SMILESNCCOc1ccc2c(F)c(N3CC(=O)NS3=O)c(O)cc2c1
InChIInChI=1S/C14H14FN3O4S/c15-13-10-2-1-9(22-4-3-16)5-8(10)6-11(19)14(13)18-7-12(20)17-23(18)21/h1-2,5-6,19H,3-4,7,16H2,(H,17,20)
InChIKeySIYOSXOMLGRGQL-UHFFFAOYSA-N
XLogP0.54
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[6-(2-aminoethoxy)-1-fluoro-3-hydroxynaphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one with MolForge

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Related Compounds

5-[1-fluoro-3-hydroxy-7-(2-piperidin-1-ylethoxy)naphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one
CID 153379937
5-[7-(2-aminoethoxy)-1-fluoro-3-phenylmethoxynaphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one
CID 156799011
5-[1-fluoro-7-[(3-fluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]-3-hydroxynaphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one
CID 153379912
5-[3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-6-hydroxyphenyl]-1-oxo-1,2,5-thiadiazolidin-3-one
CID 168900699
5-[4-fluoro-6-hydroxy-2-(hydroxymethyl)-2,3-dihydro-1H-indol-5-yl]-1-oxo-1,2,5-thiadiazolidin-3-one
CID 168884535
4-(1,4-dioxo-1,2,5-thiadiazolidin-2-yl)-3-fluoro-5-[(4-methoxyphenyl)methoxy]benzoic acid
CID 170052315
5-[3-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]-2-fluoro-6-hydroxyphenyl]-1-oxo-1,2,5-thiadiazolidin-3-one
CID 168900710
5-(6-amino-1-fluoro-3-hydroxynaphthalen-2-yl)-1,2,5-thiadiazolidin-3-one
CID 156517360
tert-butyl N-[2-[8-fluoro-6-hydroxy-7-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)naphthalen-2-yl]oxyethyl]carbamate
CID 156518126
5-[2-(2-aminopropyl)-8-fluoro-6-hydroxy-3,4-dihydro-1H-isoquinolin-7-yl]-1-oxo-1,2,5-thiadiazolidin-3-one
CID 155693934
5-[2-fluoro-6-hydroxy-3-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one
CID 168900881
5-[2-fluoro-6-hydroxy-3-(5-oxo-2H-furan-3-yl)phenyl]-1-oxo-1,2,5-thiadiazolidin-3-one
CID 168900981

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-aminoethoxy)-1-fluoro-3-hydroxynaphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[6-(2-aminoethoxy)-1-fluoro-3-hydroxynaphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one (CID 156798349) is 5-[6-(2-aminoethoxy)-1-fluoro-3-hydroxynaphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[6-(2-aminoethoxy)-1-fluoro-3-hydroxynaphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[6-(2-aminoethoxy)-1-fluoro-3-hydroxynaphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one is NCCOc1ccc2c(F)c(N3CC(=O)NS3=O)c(O)cc2c1.
What is the InChIKey of 5-[6-(2-aminoethoxy)-1-fluoro-3-hydroxynaphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is SIYOSXOMLGRGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O4S/c15-13-10-2-1-9(22-4-3-16)5-8(10)6-11(19)14(13)18-7-12(20)17-23(18)21/h1-2,5-6,19H,3-4,7,16H2,(H,17,20).
What are the key properties of 5-[6-(2-aminoethoxy)-1-fluoro-3-hydroxynaphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one?
5-[6-(2-aminoethoxy)-1-fluoro-3-hydroxynaphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 339.35 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-aminoethoxy)-1-fluoro-3-hydroxynaphthalen-2-yl]-1-oxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 156798349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).