(5E)-5-benzylidene-3-(3-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C16H10BrNOS2 — CID 1241597

IUPAC(5E)-5-benzylidene-3-(3-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2ccccc2)SC(=S)N1c1cccc(Br)c1
InChIInChI=1S/C16H10BrNOS2/c17-12-7-4-8-13(10-12)18-15(19)14(21-16(18)20)9-11-5-2-1-3-6-11/h1-10H/b14-9+
InChIKeyZGWJLVBFAPBIRR-NTEUORMPSA-N
MW376.30 g/mol
LogP4.85
Rot. Bonds2

About (5E)-5-benzylidene-3-(3-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-benzylidene-3-(3-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1241597) has the molecular formula C16H10BrNOS2 and a molecular weight of 376.30 g/mol. Its IUPAC name is (5E)-5-benzylidene-3-(3-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-benzylidene-3-(3-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1241597
Molecular FormulaC16H10BrNOS2
Molecular Weight376.30 g/mol
Exact Mass374.94
IUPAC Name(5E)-5-benzylidene-3-(3-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2ccccc2)SC(=S)N1c1cccc(Br)c1
InChIInChI=1S/C16H10BrNOS2/c17-12-7-4-8-13(10-12)18-15(19)14(21-16(18)20)9-11-5-2-1-3-6-11/h1-10H/b14-9+
InChIKeyZGWJLVBFAPBIRR-NTEUORMPSA-N
XLogP4.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5E)-5-benzylidene-3-(3-bromophenyl)-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

Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-3-(3-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-benzylidene-3-(3-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1241597) is (5E)-5-benzylidene-3-(3-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-benzylidene-3-(3-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-benzylidene-3-(3-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C\c2ccccc2)SC(=S)N1c1cccc(Br)c1.
What is the InChIKey of (5E)-5-benzylidene-3-(3-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is ZGWJLVBFAPBIRR-NTEUORMPSA-N. The full InChI is InChI=1S/C16H10BrNOS2/c17-12-7-4-8-13(10-12)18-15(19)14(21-16(18)20)9-11-5-2-1-3-6-11/h1-10H/b14-9+.
What are the key properties of (5E)-5-benzylidene-3-(3-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-benzylidene-3-(3-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 376.30 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-3-(3-bromophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1241597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).