(2E)-2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one

C11H7BrN4OS2 — CID 171345907

IUPAC(2E)-2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/c2nnc(-c3ccc(Br)cc3)s2)N1
InChIInChI=1S/C11H7BrN4OS2/c12-7-3-1-6(2-4-7)9-15-16-11(19-9)14-10-13-8(17)5-18-10/h1-4H,5H2,(H,13,14,16,17)
InChIKeyKNZIGRJAQRCCSM-UHFFFAOYSA-N
MW355.24 g/mol
LogP2.82
Rot. Bonds2

About (2E)-2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one

(2E)-2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one (PubChem CID 171345907) has the molecular formula C11H7BrN4OS2 and a molecular weight of 355.24 g/mol. Its IUPAC name is (2E)-2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one
PubChem CID171345907
Molecular FormulaC11H7BrN4OS2
Molecular Weight355.24 g/mol
Exact Mass353.92
IUPAC Name(2E)-2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/c2nnc(-c3ccc(Br)cc3)s2)N1
InChIInChI=1S/C11H7BrN4OS2/c12-7-3-1-6(2-4-7)9-15-16-11(19-9)14-10-13-8(17)5-18-10/h1-4H,5H2,(H,13,14,16,17)
InChIKeyKNZIGRJAQRCCSM-UHFFFAOYSA-N
XLogP2.82
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2E)-2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]imino]-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 (2E)-2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one (CID 171345907) is (2E)-2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one is O=C1CS/C(=N/c2nnc(-c3ccc(Br)cc3)s2)N1.
What is the InChIKey of (2E)-2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one?
The InChIKey is KNZIGRJAQRCCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN4OS2/c12-7-3-1-6(2-4-7)9-15-16-11(19-9)14-10-13-8(17)5-18-10/h1-4H,5H2,(H,13,14,16,17).
What are the key properties of (2E)-2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one?
(2E)-2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one has a molecular weight of 355.24 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 171345907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).