3-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione

C10H8N2O3S — CID 135776448

IUPAC3-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1/N=C/c1ccccc1O
InChIInChI=1S/C10H8N2O3S/c13-8-4-2-1-3-7(8)5-11-12-9(14)6-16-10(12)15/h1-5,13H,6H2/b11-5+
InChIKeyGTSOGRNBGAMGHJ-VZUCSPMQSA-N
MW236.25 g/mol
LogP1.42
Rot. Bonds2

About 3-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione

3-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione (PubChem CID 135776448) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is 3-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione
PubChem CID135776448
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name3-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1/N=C/c1ccccc1O
InChIInChI=1S/C10H8N2O3S/c13-8-4-2-1-3-7(8)5-11-12-9(14)6-16-10(12)15/h1-5,13H,6H2/b11-5+
InChIKeyGTSOGRNBGAMGHJ-VZUCSPMQSA-N
XLogP1.42
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 137120233
3-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 135478875
2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766507
(1R,2R,6S,7S)-4-[(Z)-(2-hydroxyphenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 136663089
(5E)-5-[(2-hydroxyphenyl)methylidene]-3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 135568099
3-[(E)-(2-hydroxyphenyl)methylideneamino]-5,5-diphenylimidazolidine-2,4-dione
CID 135788061
2-(carbazol-9-yliminomethyl)phenol
CID 691316
3-(3-bromophenyl)-1-[(E)-(2-hydroxyphenyl)methylideneamino]pyrrolidine-2,5-dione
CID 135770218
3-[(3,4-dihydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4757749
2-(2H-1,3-thiazol-3-yliminomethyl)phenol
CID 141040351
3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19589115
3-[(E)-[2-[(2R)-butan-2-yl]oxyphenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126351183

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione (CID 135776448) is 3-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1/N=C/c1ccccc1O.
What is the InChIKey of 3-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione?
The InChIKey is GTSOGRNBGAMGHJ-VZUCSPMQSA-N. The full InChI is InChI=1S/C10H8N2O3S/c13-8-4-2-1-3-7(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)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione?
3-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione has a molecular weight of 236.25 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 135776448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).