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

C13H8N2O4S2 — CID 1201139

IUPAC2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
SMILESO=C(O)Cn1c(O)c(C2=c3ccccc3=NC2=O)sc1=S
InChIInChI=1S/C13H8N2O4S2/c16-8(17)5-15-12(19)10(21-13(15)20)9-6-3-1-2-4-7(6)14-11(9)18/h1-4,19H,5H2,(H,16,17)
InChIKeyHTGYQOKNDSKSHW-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.43
Rot. Bonds3

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

2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid (PubChem CID 1201139) has the molecular formula C13H8N2O4S2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
PubChem CID1201139
Molecular FormulaC13H8N2O4S2
Molecular Weight320.35 g/mol
Exact Mass319.99
IUPAC Name2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
SMILESO=C(O)Cn1c(O)c(C2=c3ccccc3=NC2=O)sc1=S
InChIInChI=1S/C13H8N2O4S2/c16-8(17)5-15-12(19)10(21-13(15)20)9-6-3-1-2-4-7(6)14-11(9)18/h1-4,19H,5H2,(H,16,17)
InChIKeyHTGYQOKNDSKSHW-UHFFFAOYSA-N
XLogP0.43
TPSA91.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.43
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]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-(5-(5-chloro-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
CID 135886621
[(5E)-2,4-dioxo-5-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-1,3-thiazolidin-3-yl]acetic acid
CID 1541788
3-[5-(5-bromo-2-oxo(1H-benzo[d]azolidin-3-ylidene))-4-oxo-2-thioxo-1,3-thiazol idin-3-yl]propanoic acid
CID 1201129
2-[(5Z)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid
CID 3800971
(Z)-2-(4-oxo-5-(2-oxoindolin-3-ylidene)-2-thioxothiazolidin-3-yl)propanoic acid
CID 3282538
ClpB-IN-1
CID 1370080
(3Z)-3-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one
CID 1909354
(3Z)-3-(3-Isobutyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-1,3-dihydro-2H-indol-2-one
CID 1524007
(2R)-2-[5-(5-bromo-2-oxoindol-3-yl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]-3-methylbutanoic acid
CID 1382419
2-[4-hydroxy-5-[(Z)-indol-7-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
CID 178297268
2-[4-hydroxy-5-[(E)-indol-2-ylidenemethyl]-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
CID 178305747
[(5Z)-5-(5-fluoro-2-hydroxy-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
CID 1302409

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid?
The IUPAC name of 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid (CID 1201139) is 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid?
The canonical SMILES for 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid is O=C(O)Cn1c(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]acetic acid?
The InChIKey is HTGYQOKNDSKSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O4S2/c16-8(17)5-15-12(19)10(21-13(15)20)9-6-3-1-2-4-7(6)14-11(9)18/h1-4,19H,5H2,(H,16,17).
What are the key properties of 2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid?
2-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid has a molecular weight of 320.35 g/mol, XLogP of 0.43, 3 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]acetic acid is sourced from PubChem (CID 1201139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).