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

C10H7ClN2O2S2 — CID 137149951

IUPAC3-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1/N=C/c1ccc(O)c(Cl)c1
InChIInChI=1S/C10H7ClN2O2S2/c11-7-3-6(1-2-8(7)14)4-12-13-9(15)5-17-10(13)16/h1-4,14H,5H2/b12-4+
InChIKeySZBIDVPKIFWMRD-UUILKARUSA-N
MW286.77 g/mol
LogP2.24
Rot. Bonds2

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

3-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 137149951) has the molecular formula C10H7ClN2O2S2 and a molecular weight of 286.77 g/mol. Its IUPAC name is 3-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID137149951
Molecular FormulaC10H7ClN2O2S2
Molecular Weight286.77 g/mol
Exact Mass285.96
IUPAC Name3-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1/N=C/c1ccc(O)c(Cl)c1
InChIInChI=1S/C10H7ClN2O2S2/c11-7-3-6(1-2-8(7)14)4-12-13-9(15)5-17-10(13)16/h1-4,14H,5H2/b12-4+
InChIKeySZBIDVPKIFWMRD-UUILKARUSA-N
XLogP2.24
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 52.24
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'}

Analyze 3-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-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

(E)-2-((E)-(3-Chloro-4-hydroxybenzylideno)thiazolidin-4-one (3)
CID 137014973
N'-[(E)-(3,5-dichloro-4-hydroxyphenyl)methylidene]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetohydrazide
CID 135517093
(5Z)-3-[(E)-(2-chlorophenyl)methylideneamino]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 172468670
3-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 135478875
(e)-3-((4-Hydroxybenzylidene) amino)-2-thioxothiazolidin-4-one
CID 137120234
(e)-3-((5-Bromo-3-chloro-2-hydroxybenzylidene) amino)-2-thioxothiazolidin-4-one
CID 163320521
2-[(5-Chloro-2-fluoro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574400
2-[(3-Chloro-5-fluoro-4-hydroxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574547
N-[(3,5-dichloro-4-hydroxyphenyl)methylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 1936987
3-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 135478830
3-[(3,5-Dichloro-2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 275261
3-[(5-Chloro-2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 276655

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 137149951) is 3-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1CSC(=S)N1/N=C/c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is SZBIDVPKIFWMRD-UUILKARUSA-N. The full InChI is InChI=1S/C10H7ClN2O2S2/c11-7-3-6(1-2-8(7)14)4-12-13-9(15)5-17-10(13)16/h1-4,14H,5H2/b12-4+.
What are the key properties of 3-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
3-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 286.77 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 137149951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).