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

C16H10BrNOS2 — CID 7559652

IUPAC(5Z)-5-benzylidene-3-(2-bromophenyl)-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESO=C1S/C(=C\c2ccccc2)C(=S)N1c1ccccc1Br
InChIInChI=1S/C16H10BrNOS2/c17-12-8-4-5-9-13(12)18-15(20)14(21-16(18)19)10-11-6-2-1-3-7-11/h1-10H/b14-10-
InChIKeyAEOUACZJSVXZES-UVTDQMKNSA-N
MW376.30 g/mol
LogP5.49
Rot. Bonds2

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

(5Z)-5-benzylidene-3-(2-bromophenyl)-4-sulfanylidene-1,3-thiazolidin-2-one (PubChem CID 7559652) has the molecular formula C16H10BrNOS2 and a molecular weight of 376.30 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-(2-bromophenyl)-4-sulfanylidene-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3-(2-bromophenyl)-4-sulfanylidene-1,3-thiazolidin-2-one
PubChem CID7559652
Molecular FormulaC16H10BrNOS2
Molecular Weight376.30 g/mol
Exact Mass374.94
IUPAC Name(5Z)-5-benzylidene-3-(2-bromophenyl)-4-sulfanylidene-1,3-thiazolidin-2-one
SMILESO=C1S/C(=C\c2ccccc2)C(=S)N1c1ccccc1Br
InChIInChI=1S/C16H10BrNOS2/c17-12-8-4-5-9-13(12)18-15(20)14(21-16(18)19)10-11-6-2-1-3-7-11/h1-10H/b14-10-
InChIKeyAEOUACZJSVXZES-UVTDQMKNSA-N
XLogP5.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.30
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_E(8)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-5-benzylidene-3-(2-bromophenyl)-4-sulfanylidene-1,3-thiazolidin-2-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

(5E)-3-(2-bromophenyl)-5-(furan-2-ylmethylidene)-4-sulfanylidene-1,3-thiazolidin-2-one
CID 7559655
4-[[3-(2-bromophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
CID 4763257
2-[4-[(E)-[3-(2-bromophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 43861942
5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-4-sulfanylidene-1,3-thiazolidin-2-one
CID 23988103
(5Z)-5-benzylidene-3-(2-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840149
(5Z)-5-benzylidene-3-(2-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126059113
3-[2-[(E)-[3-(2-bromophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 27418184
5-benzylidene-3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one
CID 155163574
N-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-bromobenzamide
CID 1365745
5-benzylidene-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4514260
2-[2-oxo-5-[(4-phenoxyphenyl)methylidene]-4-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 139686112
(5Z)-5-benzylidene-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122714055

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-3-(2-bromophenyl)-4-sulfanylidene-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-5-benzylidene-3-(2-bromophenyl)-4-sulfanylidene-1,3-thiazolidin-2-one (CID 7559652) is (5Z)-5-benzylidene-3-(2-bromophenyl)-4-sulfanylidene-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-5-benzylidene-3-(2-bromophenyl)-4-sulfanylidene-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-5-benzylidene-3-(2-bromophenyl)-4-sulfanylidene-1,3-thiazolidin-2-one is O=C1S/C(=C\c2ccccc2)C(=S)N1c1ccccc1Br.
What is the InChIKey of (5Z)-5-benzylidene-3-(2-bromophenyl)-4-sulfanylidene-1,3-thiazolidin-2-one?
The InChIKey is AEOUACZJSVXZES-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H10BrNOS2/c17-12-8-4-5-9-13(12)18-15(20)14(21-16(18)19)10-11-6-2-1-3-7-11/h1-10H/b14-10-.
What are the key properties of (5Z)-5-benzylidene-3-(2-bromophenyl)-4-sulfanylidene-1,3-thiazolidin-2-one?
(5Z)-5-benzylidene-3-(2-bromophenyl)-4-sulfanylidene-1,3-thiazolidin-2-one has a molecular weight of 376.30 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-3-(2-bromophenyl)-4-sulfanylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 7559652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).