3-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

C10H9NO2S2 — CID 86047599

IUPAC3-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1Cc1ccc(O)cc1
InChIInChI=1S/C10H9NO2S2/c12-8-3-1-7(2-4-8)5-11-9(13)6-15-10(11)14/h1-4,12H,5-6H2
InChIKeyATRFUWYDKFYOHS-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.75
Rot. Bonds2

About 3-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

3-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 86047599) has the molecular formula C10H9NO2S2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID86047599
Molecular FormulaC10H9NO2S2
Molecular Weight239.32 g/mol
Exact Mass239.01
IUPAC Name3-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1Cc1ccc(O)cc1
InChIInChI=1S/C10H9NO2S2/c12-8-3-1-7(2-4-8)5-11-9(13)6-15-10(11)14/h1-4,12H,5-6H2
InChIKeyATRFUWYDKFYOHS-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one 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

3-[2-(4-hydroxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18593001
3-[(2,2-dimethyl-1,3-benzodioxol-5-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 87609559
3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 557397
3-[3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 14365442
1-[(4-hydroxyphenyl)methyl]pyrrole-2,5-dione
CID 22989029
2-[4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)methylamino]phenyl]acetic acid
CID 82097002
4-[(4-hydroxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 107409902
4-[(4-fluorophenyl)methyl]thiomorpholine-3,5-dione
CID 5102084
3-[(4-phenoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 23125222
N-(3,5-dichlorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 110864228
2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenoxy]phenyl]acetic acid
CID 154356336
N-(4-fluorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 110858692

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 86047599) is 3-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1CSC(=S)N1Cc1ccc(O)cc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is ATRFUWYDKFYOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S2/c12-8-3-1-7(2-4-8)5-11-9(13)6-15-10(11)14/h1-4,12H,5-6H2.
What are the key properties of 3-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
3-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 239.32 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 86047599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).