3-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one

C10H6Br2N2O2S2 — CID 135675967

IUPAC3-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1/N=C/c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C10H6Br2N2O2S2/c11-6-1-5(2-7(12)9(6)16)3-13-14-8(15)4-18-10(14)17/h1-3,16H,4H2/b13-3+
InChIKeyHOSOYLASWSYYAN-QLKAYGNNSA-N
MW410.11 g/mol
LogP3.11
Rot. Bonds2

About 3-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one

3-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 135675967) has the molecular formula C10H6Br2N2O2S2 and a molecular weight of 410.11 g/mol. Its IUPAC name is 3-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID135675967
Molecular FormulaC10H6Br2N2O2S2
Molecular Weight410.11 g/mol
Exact Mass407.82
IUPAC Name3-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1CSC(=S)N1/N=C/c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C10H6Br2N2O2S2/c11-6-1-5(2-7(12)9(6)16)3-13-14-8(15)4-18-10(14)17/h1-3,16H,4H2/b13-3+
InChIKeyHOSOYLASWSYYAN-QLKAYGNNSA-N
XLogP3.11
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.11
LogP ≤ 53.11
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)-(3,5-dibromo-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

CID 56642851
CID 56642851
3-[(E)-(3,5-dibromo-2-hydroxy-phenyl)methyleneamino]-2-thioxo-thiazolidin-4-one
CID 135478833
3-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 135478832
3-[(3,5-Dibromo-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2347407
(e)-3-((4-Hydroxybenzylidene) amino)-2-thioxothiazolidin-4-one
CID 137120234
3-[(5-Bromo-2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 275264
3-[(3-Bromo-4-methoxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3293367
3-[(3,5-Dibromo-2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 275265
3-[(3,5-Dibromo-2-hydroxyphenyl)methylideneamino]-4-hydroxy-1,3-thiazole-2-thione
CID 136601613
2-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one
CID 4521380
2-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4H-1,3,4-thiadiazin-5-one
CID 135599001
3-[(4-Hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 135849981

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 135675967) is 3-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1CSC(=S)N1/N=C/c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 3-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is HOSOYLASWSYYAN-QLKAYGNNSA-N. The full InChI is InChI=1S/C10H6Br2N2O2S2/c11-6-1-5(2-7(12)9(6)16)3-13-14-8(15)4-18-10(14)17/h1-3,16H,4H2/b13-3+.
What are the key properties of 3-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one?
3-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 410.11 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 135675967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).