3-[5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-4-hydroxy-2-oxo-1,3-thiazol-3-yl]propanoic acid

C14H11FN2O6S — CID 123262045

IUPAC3-[5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-4-hydroxy-2-oxo-1,3-thiazol-3-yl]propanoic acid
SMILESO=C(O)CCn1c(O)c(C2(O)C(=O)Nc3ccc(F)cc32)sc1=O
InChIInChI=1S/C14H11FN2O6S/c15-6-1-2-8-7(5-6)14(23,12(21)16-8)10-11(20)17(13(22)24-10)4-3-9(18)19/h1-2,5,20,23H,3-4H2,(H,16,21)(H,18,19)
InChIKeyYEADHHRCYUXHKR-UHFFFAOYSA-N
MW354.32 g/mol
LogP0.42
Rot. Bonds4

About 3-[5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-4-hydroxy-2-oxo-1,3-thiazol-3-yl]propanoic acid

3-[5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-4-hydroxy-2-oxo-1,3-thiazol-3-yl]propanoic acid (PubChem CID 123262045) has the molecular formula C14H11FN2O6S and a molecular weight of 354.32 g/mol. Its IUPAC name is 3-[5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-4-hydroxy-2-oxo-1,3-thiazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-4-hydroxy-2-oxo-1,3-thiazol-3-yl]propanoic acid
PubChem CID123262045
Molecular FormulaC14H11FN2O6S
Molecular Weight354.32 g/mol
Exact Mass354.03
IUPAC Name3-[5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-4-hydroxy-2-oxo-1,3-thiazol-3-yl]propanoic acid
SMILESO=C(O)CCn1c(O)c(C2(O)C(=O)Nc3ccc(F)cc32)sc1=O
InChIInChI=1S/C14H11FN2O6S/c15-6-1-2-8-7(5-6)14(23,12(21)16-8)10-11(20)17(13(22)24-10)4-3-9(18)19/h1-2,5,20,23H,3-4H2,(H,16,21)(H,18,19)
InChIKeyYEADHHRCYUXHKR-UHFFFAOYSA-N
XLogP0.42
TPSA128.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-[5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-4-hydroxy-2-oxo-1,3-thiazol-3-yl]propanoic acid 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 3-[5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-4-hydroxy-2-oxo-1,3-thiazol-3-yl]propanoic acid?
The IUPAC name of 3-[5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-4-hydroxy-2-oxo-1,3-thiazol-3-yl]propanoic acid (CID 123262045) is 3-[5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-4-hydroxy-2-oxo-1,3-thiazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-4-hydroxy-2-oxo-1,3-thiazol-3-yl]propanoic acid?
The canonical SMILES for 3-[5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-4-hydroxy-2-oxo-1,3-thiazol-3-yl]propanoic acid is O=C(O)CCn1c(O)c(C2(O)C(=O)Nc3ccc(F)cc32)sc1=O.
What is the InChIKey of 3-[5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-4-hydroxy-2-oxo-1,3-thiazol-3-yl]propanoic acid?
The InChIKey is YEADHHRCYUXHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O6S/c15-6-1-2-8-7(5-6)14(23,12(21)16-8)10-11(20)17(13(22)24-10)4-3-9(18)19/h1-2,5,20,23H,3-4H2,(H,16,21)(H,18,19).
What are the key properties of 3-[5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-4-hydroxy-2-oxo-1,3-thiazol-3-yl]propanoic acid?
3-[5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-4-hydroxy-2-oxo-1,3-thiazol-3-yl]propanoic acid has a molecular weight of 354.32 g/mol, XLogP of 0.42, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-4-hydroxy-2-oxo-1,3-thiazol-3-yl]propanoic acid is sourced from PubChem (CID 123262045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).