2-(3-bromophenyl)imino-1,3-thiazolidin-4-one

C9H7BrN2OS — CID 135454681

IUPAC2-(3-bromophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(Br)c2)N1
InChIInChI=1S/C9H7BrN2OS/c10-6-2-1-3-7(4-6)11-9-12-8(13)5-14-9/h1-4H,5H2,(H,11,12,13)
InChIKeySGXRQMVAZQYMJU-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.30
Rot. Bonds1

About 2-(3-bromophenyl)imino-1,3-thiazolidin-4-one

2-(3-bromophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135454681) has the molecular formula C9H7BrN2OS and a molecular weight of 271.14 g/mol. Its IUPAC name is 2-(3-bromophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-bromophenyl)imino-1,3-thiazolidin-4-one
PubChem CID135454681
Molecular FormulaC9H7BrN2OS
Molecular Weight271.14 g/mol
Exact Mass269.95
IUPAC Name2-(3-bromophenyl)imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2cccc(Br)c2)N1
InChIInChI=1S/C9H7BrN2OS/c10-6-2-1-3-7(4-6)11-9-12-8(13)5-14-9/h1-4H,5H2,(H,11,12,13)
InChIKeySGXRQMVAZQYMJU-UHFFFAOYSA-N
XLogP2.30
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-bromophenyl)imino-1,3-thiazolidin-4-one (CID 135454681) is 2-(3-bromophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-bromophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-bromophenyl)imino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2cccc(Br)c2)N1.
What is the InChIKey of 2-(3-bromophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is SGXRQMVAZQYMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2OS/c10-6-2-1-3-7(4-6)11-9-12-8(13)5-14-9/h1-4H,5H2,(H,11,12,13).
What are the key properties of 2-(3-bromophenyl)imino-1,3-thiazolidin-4-one?
2-(3-bromophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 271.14 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135454681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).