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

C10H8N2O2S2 — CID 137120234

IUPAC3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1/N=C/c1ccc(O)cc1
InChIInChI=1S/C10H8N2O2S2/c13-8-3-1-7(2-4-8)5-11-12-9(14)6-16-10(12)15/h1-5,13H,6H2/b11-5+
InChIKeyRCNHERYGNYITBQ-VZUCSPMQSA-N
MW252.32 g/mol
LogP1.59
Rot. Bonds2

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

3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 137120234) has the molecular formula C10H8N2O2S2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID137120234
Molecular FormulaC10H8N2O2S2
Molecular Weight252.32 g/mol
Exact Mass252.00
IUPAC Name3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1/N=C/c1ccc(O)cc1
InChIInChI=1S/C10H8N2O2S2/c13-8-3-1-7(2-4-8)5-11-12-9(14)6-16-10(12)15/h1-5,13H,6H2/b11-5+
InChIKeyRCNHERYGNYITBQ-VZUCSPMQSA-N
XLogP1.59
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(4-hydroxyphenyl)methylidene]-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 135650601
o-Hydroxybenzylideneaminorhodanine
CID 97410
Rhodanine, 3-salicylideneamino-
CID 135473713
3-[(4-Methoxybenzylidene)amino]-2-thioxo-1,3-thiazolidin-4-one
CID 5341305
N'-(4-hydroxybenzylidene)-3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide
CID 135426219
3-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 135675967
2-thioxo-3-[(E)-(2,3,4-trihydroxyphenyl)methyleneamino]thiazolidin-4-one
CID 135691075
(E)-2-((E)-(4-hydroxybenzylidene)hydrazono)thiazolidin-4-one
CID 135886854
4-Thiazolidinone, 3-(((2-hydroxyphenyl)methylene)amino)-5-(phenylmethylene)-2-thioxo-
CID 135418575
2-((5-(Benzylthio)1,3,4-thiadiazol-2-YL)thio)N'-(4-HO-benzylidene)acetohydrazide
CID 135642138
(E)-2((E)-(4-Hydroxybenzylidin)hydrazono)thiazolidine-4-one (6)
CID 137014974
Alr2-IN-3
CID 135548678

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 137120234) is 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1CSC(=S)N1/N=C/c1ccc(O)cc1.
What is the InChIKey of 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is RCNHERYGNYITBQ-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H8N2O2S2/c13-8-3-1-7(2-4-8)5-11-12-9(14)6-16-10(12)15/h1-5,13H,6H2/b11-5+.
What are the key properties of 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 252.32 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 137120234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).