2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid

C17H16N2O4S2 — CID 4515359

IUPAC2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid
SMILESCCCCC(C(=O)O)n1c(O)c(C2=c3ccccc3=NC2=O)sc1=S
InChIInChI=1S/C17H16N2O4S2/c1-2-3-8-11(16(22)23)19-15(21)13(25-17(19)24)12-9-6-4-5-7-10(9)18-14(12)20/h4-7,11,21H,2-3,8H2,1H3,(H,22,23)
InChIKeyULLZYOMWMCSWMW-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.16
Rot. Bonds6

About 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid

2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid (PubChem CID 4515359) has the molecular formula C17H16N2O4S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid.

Molecular Properties

Compound Name2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid
PubChem CID4515359
Molecular FormulaC17H16N2O4S2
Molecular Weight376.46 g/mol
Exact Mass376.06
IUPAC Name2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid
SMILESCCCCC(C(=O)O)n1c(O)c(C2=c3ccccc3=NC2=O)sc1=S
InChIInChI=1S/C17H16N2O4S2/c1-2-3-8-11(16(22)23)19-15(21)13(25-17(19)24)12-9-6-4-5-7-10(9)18-14(12)20/h4-7,11,21H,2-3,8H2,1H3,(H,22,23)
InChIKeyULLZYOMWMCSWMW-UHFFFAOYSA-N
XLogP2.16
TPSA91.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic 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 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid?
The IUPAC name of 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid (CID 4515359) is 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid.
What is the SMILES notation for 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid?
The canonical SMILES for 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid is CCCCC(C(=O)O)n1c(O)c(C2=c3ccccc3=NC2=O)sc1=S.
What is the InChIKey of 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid?
The InChIKey is ULLZYOMWMCSWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S2/c1-2-3-8-11(16(22)23)19-15(21)13(25-17(19)24)12-9-6-4-5-7-10(9)18-14(12)20/h4-7,11,21H,2-3,8H2,1H3,(H,22,23).
What are the key properties of 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid?
2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid has a molecular weight of 376.46 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid is sourced from PubChem (CID 4515359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).